data_1ufz_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 1ufz _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 ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.15 -36.53 41.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -73.33 -50.97 19.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.8 -56.99 11.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.97 -43.71 94.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -62.96 -20.66 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 84.6 m -94.46 -60.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -41.79 -60.15 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 m-20 -38.88 -54.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -51.35 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.02 -21.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.41 -57.67 6.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.4 -18.03 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.24 -74.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' HG11 ' A' ' 72' ' ' VAL . 1.8 mp -88.42 -38.92 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.23 -32.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -39.92 -59.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.27 -39.37 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 67.8 t -68.47 143.87 95.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.97 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.11 -52.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' ASP . 93.9 m-20 -38.69 -62.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -40.27 -56.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.11 -52.18 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -45.37 -54.35 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -53.47 -59.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.59 -48.27 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 6.7 mt -56.38 -51.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.57 -14.1 62.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -74.15 -21.12 59.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' LYS . 8.9 m-70 -136.68 30.9 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.557 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 40.07 67.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.451 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 32.0 m-85 56.99 89.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -158.45 66.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 54.0 t -39.74 -55.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -41.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.7 tmtm? -86.06 -54.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.505 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -44.38 -38.65 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -72.5 -56.6 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -29.34 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.33 -46.54 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 10.6 t -59.84 -19.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' LEU . 25.3 mt -86.55 -52.06 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.52 -20.03 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.47 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -48.55 -50.15 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 58' ' ' ILE . 1.4 tm? -50.38 -56.82 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -61.67 -40.3 94.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -20.64 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 65.0 m -94.52 -42.45 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -56.26 -58.25 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -50.18 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -51.43 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -18.15 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.15 -20.92 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -16.85 23.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.01 -72.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD2' HG11 ' A' ' 72' ' ' VAL . 2.4 mp -90.69 -36.07 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.81 -30.88 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 m-20 -39.23 -56.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.33 -41.66 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 62.2 t -66.9 144.0 98.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.506 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.1 p-10 -92.05 -53.55 4.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' ASP . 64.2 m-20 -38.97 -65.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -40.08 -52.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.28 -58.14 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.476 HG21 ' CD2' ' A' ' 59' ' ' LEU . 16.5 m -43.43 -53.09 5.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -43.19 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -55.09 -42.21 72.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 34' ' ' LEU . 5.9 mt -59.29 -55.81 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.5 OUTLIER -64.26 -14.13 53.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.01 -18.33 61.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.8 m-70 -142.45 32.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.27 67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 9.7 m-85 57.0 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -161.09 67.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 55.0 t -41.62 -53.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -38.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.2 tmtp? -87.93 -51.44 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.51 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -48.33 -39.14 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' CD2' HD12 ' A' ' 45' ' ' LEU . 4.9 mt -72.91 -45.82 56.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -28.64 67.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.58 -45.27 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 26.2 t -61.72 -14.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.33 -39.93 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -77.32 -21.79 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.77 -46.53 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -68.4 -51.11 47.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -49.81 -53.61 24.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.419 ' N ' HD12 ' A' ' 34' ' ' LEU . 1.8 m-85 -59.2 -45.93 89.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -21.14 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 72.0 m -94.22 -48.9 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -52.94 -64.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' LEU . 46.7 t0 -37.73 -56.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -40.49 -72.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.611 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.499 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.12 -27.83 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -61.63 -22.83 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -13.8 27.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.3 t -91.14 -73.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.2 mp -94.61 -33.66 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.38 -30.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' LEU . 5.0 t70 -40.07 -52.39 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.07 -37.63 5.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' HG ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.38 145.15 87.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' N ' HG11 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.93 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.16 -55.36 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.4 m-20 -39.51 -64.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mt -39.47 -62.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' HG ' ' CG1' ' A' ' 49' ' ' VAL . 69.6 mt -54.13 -53.02 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 86.2 m -49.25 -59.7 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.69 -48.22 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.04 -48.6 52.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 5.5 mt -53.66 -55.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -14.12 62.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.39 -19.85 61.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' LYS . 25.2 m-70 -139.46 35.84 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.83 67.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.461 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 16.6 m-85 55.91 90.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 15.1 t0 -156.36 65.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 42.9 t -39.36 -55.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.53 -49.49 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -77.73 -58.45 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.492 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -41.18 -33.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD2' ' CG ' ' A' ' 41' ' ' MET . 7.6 mt -73.19 -52.68 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -29.93 9.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.23 -50.8 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 11.9 t -52.48 -40.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.57 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -43.51 -62.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -40.3 -63.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -52.86 -47.08 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -52.47 -59.78 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 2.3 m-85 -59.5 -34.33 72.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -22.66 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 83.0 m -94.38 -18.81 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -86.1 -58.55 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LEU . 55.7 t0 -39.68 -55.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -52.21 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.56 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.8 -21.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.72 -53.67 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.66 -16.82 4.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.48 -74.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 72' ' ' VAL . 1.2 mp -92.2 -36.31 13.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.75 -31.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 -39.71 -56.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.19 -37.28 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG1' HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -70.33 143.44 90.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.31 -48.32 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ILE . 2.5 m-20 -43.48 -63.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ASP . 11.7 mt -39.42 -57.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.423 HD21 ' CG1' ' A' ' 49' ' ' VAL . 55.8 mt -57.87 -56.46 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 59' ' ' LEU . 13.0 m -46.98 -55.4 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.76 -43.72 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.26 75.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 8.4 mt -58.35 -56.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.469 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.69 -14.23 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -77.25 -16.29 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.1 m-70 -139.19 30.34 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER 39.41 66.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 15.7 m-85 55.78 89.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.29 83.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 93.1 t -55.75 -54.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -34.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -52.36 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -48.29 -35.77 12.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.32 -51.65 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -53.38 -28.34 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.0 t -92.12 -50.24 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 14.9 t -53.89 -37.21 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -57.42 7.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.08 -50.24 74.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.15 -65.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -45.69 -50.52 13.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -59.75 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.22 -48.59 24.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -52.64 -24.15 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 4.2 t -93.97 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -39.02 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' LEU . 25.4 t0 -36.95 -59.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 42' ' ' ARG . 85.1 t60 -52.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.449 ' SD ' ' CD2' ' A' ' 54' ' ' LEU . 4.9 ttm -42.3 -26.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.8 ttt180 -59.7 -53.1 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.7 -16.67 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -92.4 -74.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 72' ' ' VAL . 1.6 mp -92.15 -35.87 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.08 -32.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -42.17 -53.64 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.46 -52.55 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 54' ' ' LEU . 1.4 t -61.33 141.41 94.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -88.66 -53.22 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.2 m-20 -39.22 -60.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 mt -41.74 -56.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 49' ' ' VAL . 35.6 mt -60.56 -55.53 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 ' CD2' ' A' ' 59' ' ' LEU . 2.8 m -43.11 -52.47 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.2 mm-40 -51.95 -54.43 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 72' ' ' VAL . . . -44.23 -50.64 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CG1' ' SG ' ' A' ' 37' ' ' CYS . 28.8 mt -52.31 -61.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.26 -14.12 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.49 -14.56 60.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 67' ' ' LYS . 56.4 m-70 -144.39 32.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.43 66.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 57.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -167.86 74.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 63.2 t -40.31 -55.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -41.41 -57.51 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 1.1 mmtp -67.44 -60.46 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -39.63 -43.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 45' ' ' LEU . 11.9 mt -72.47 -52.62 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.94 -31.62 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.2 t -92.14 -49.33 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 23.2 t -56.87 -18.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' LEU . 46.6 mt -89.26 -53.46 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.64 -14.08 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.9 -46.87 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -64.22 -59.73 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 35' ' ' TYR . 2.3 tm? -40.61 -53.45 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.428 ' N ' HD12 ' A' ' 34' ' ' LEU . 3.2 m-85 -65.18 -39.15 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 82.5 m -94.87 -15.27 23.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 42' ' ' ARG . 1.4 tp -93.21 -59.37 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -46.78 -40.7 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -62.5 -53.56 52.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' CG ' ' HG ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -70.08 -13.81 62.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.4 mmm180 -74.32 -51.07 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -15.71 4.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -91.98 -74.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -94.5 -33.38 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 20.7 m-20 -39.17 -53.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.47 -43.13 3.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 76.8 t -66.45 143.43 98.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -52.43 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 -64.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -39.57 -63.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 ' CD1' ' HG2' ' A' ' 42' ' ' ARG . 52.2 mt -52.15 -50.87 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 59' ' ' LEU . 20.0 m -50.34 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' LYS . 5.9 mt-10 -39.07 -52.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.86 -50.81 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 10.6 mt -51.24 -61.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.7 -14.17 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.14 -21.69 56.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' LYS . 44.4 m-70 -136.91 34.15 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.32 73.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.472 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 11.9 m-85 50.65 88.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 73.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG1' HD13 ' A' ' 69' ' ' LEU . 75.0 t -45.39 -54.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.75 -48.45 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -78.15 -58.31 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -41.29 -37.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' CG ' ' A' ' 41' ' ' MET . 6.5 mt -74.07 -52.94 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -28.04 15.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.405 HG21 ' NE2' ' A' ' 61' ' ' HIS . 95.3 t -92.27 -49.22 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 10.3 t -55.09 -44.37 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.21 -62.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -54.18 -60.45 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.38 -62.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -47.41 -49.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.99 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -45.9 -38.95 8.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 p -54.64 -27.33 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 8.7 m -93.32 -52.53 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -44.05 -50.23 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' LEU . 18.8 t70 -39.94 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 38' ' ' LEU . 83.9 t60 -84.95 -76.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.567 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.471 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -47.54 -22.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.65 -26.53 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -92.89 -12.9 29.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 t -90.31 -73.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.2 mp -97.03 -31.97 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.17 -30.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.0 -54.39 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.54 -45.56 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.468 HG13 ' CG2' ' A' ' 53' ' ' ILE . 1.6 t -63.41 138.9 97.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -85.28 -54.96 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' ASP . 17.9 m-20 -38.74 -63.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -39.62 -52.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD2' ' HE3' ' A' ' 41' ' ' MET . 35.2 mt -64.4 -58.41 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 m -42.0 -47.53 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' LYS . 1.2 mm-40 -55.01 -62.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 38' ' ' LEU . 26.4 mt -56.51 -50.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -14.01 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.473 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -76.02 -22.08 56.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 5.0 m-70 -135.69 31.18 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' CE ' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.92 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.458 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 24.5 m-85 56.99 90.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' VAL . 12.9 t0 -156.84 64.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 25.2 t -38.98 -57.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.64 -44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' CD ' HG23 ' A' ' 71' ' ' VAL . 2.1 tmtt? -83.92 -55.91 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -42.4 -38.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.43 -44.98 57.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.43 -27.89 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.458 HG23 ' CD ' ' A' ' 67' ' ' LYS . 88.8 t -92.11 -46.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 27.7 t -59.07 -46.81 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.33 -59.61 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -48.38 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.33 -36.89 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -45.43 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -59.95 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -34.69 15.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.59 -27.64 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -83.29 -33.61 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER -60.04 -74.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -36.6 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 38' ' ' LEU . 36.2 t60 -81.42 -75.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.533 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -49.61 -53.52 23.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -43.7 -58.1 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 0.4 OUTLIER -50.75 -22.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' MET . 19.8 t -91.68 -75.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 72' ' ' VAL . 1.1 mp -83.81 -41.62 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -47.16 -42.15 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.8 -53.18 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG2' HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.11 157.57 89.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -93.33 -44.1 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -55.1 -60.08 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 53' ' ' ILE . 1.4 mp -39.84 -37.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 ' HB3' ' CE ' ' A' ' 41' ' ' MET . 54.9 mt -77.83 -53.13 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 1.8 m -47.36 -44.12 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.89 -46.75 78.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.14 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 55' ' ' THR . 10.2 mt -54.1 -57.37 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.29 -14.47 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.55 -23.74 61.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CG ' ' HG2' ' A' ' 67' ' ' LYS . 36.0 m-70 -137.01 33.83 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.46 73.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.447 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 6.3 m-85 49.71 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -160.4 72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 56.7 t -41.73 -56.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.89 -40.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.66 -54.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.42 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -44.76 -39.52 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 45' ' ' LEU . 3.6 mt -71.14 -60.65 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 t -45.82 -31.78 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.412 HG23 ' NE2' ' A' ' 61' ' ' HIS . 94.4 t -86.72 -51.55 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 45' ' ' LEU . 3.8 t -52.26 -47.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.37 -63.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -57.84 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.83 -63.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 ptm85 -55.47 -18.36 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.539 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -81.14 -37.81 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.62 -9.09 17.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -94.9 -21.33 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' SG ' ' CD1' ' A' ' 58' ' ' ILE . 31.0 p -96.31 -39.72 9.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -61.96 -73.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' LEU . 58.2 t0 -36.49 -41.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.406 ' NE2' HD11 ' A' ' 69' ' ' LEU . 14.0 t60 -57.56 -71.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.1 ttm -58.45 -34.23 70.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.05 -59.04 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -18.04 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.0 t -91.28 -74.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' ASP . 2.7 mp -88.99 -40.06 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -31.59 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 14.3 m-20 -47.12 -41.51 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.56 -53.32 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.439 ' CG2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.51 159.28 85.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -54.75 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.3 m-20 -40.42 -64.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.7 mt -38.19 -58.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 47.4 mt -56.78 -52.44 65.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.449 HG22 ' CD2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -45.73 -60.38 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.2 mt-10 -43.13 -55.47 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.29 -47.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.553 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 5.3 mt -63.0 -41.81 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' CD2' HG22 ' A' ' 55' ' ' THR . 3.4 mm? -71.05 -13.78 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 2.2 tpmt? -82.81 -14.52 54.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.8 m-70 -133.68 25.65 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 38.62 65.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 33' ' ' ARG . 28.0 m-85 60.89 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 8.3 t0 -162.88 64.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 53.5 t -40.03 -56.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -38.78 -49.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -78.18 -57.71 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -41.06 -39.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 HD11 ' NE2' ' A' ' 40' ' ' HIS . 6.2 mt -73.31 -49.71 26.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -29.55 36.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.19 -48.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 7.3 t -53.64 -41.06 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.79 -60.11 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -54.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -59.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.63 -49.87 75.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -63.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -50.77 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.67 -24.64 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 35.4 m -94.54 -60.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.082 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.503 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -42.12 -61.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' LEU . 5.0 t0 -36.85 -33.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 t60 -69.45 -75.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -20.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.497 ' O ' ' CA ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -78.93 -43.18 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.98 -25.68 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.16 -75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 1.4 mp -75.3 -50.16 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 42' ' ' ARG . . . -36.74 -31.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t70 -48.13 -44.95 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -48.39 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.77 158.52 85.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -167.74 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.78 -55.59 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ILE . 67.6 m-20 -40.48 -63.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . 11.8 mt -37.73 -51.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 37.3 mt -65.65 -53.97 34.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.503 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 58.9 m -44.31 -51.61 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.3 mt-10 -50.71 -48.34 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.02 -47.47 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 mt -55.73 -57.1 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -65.2 -14.27 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -74.63 -17.84 60.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 62' ' ' LYS . 34.1 m-70 -141.09 31.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.43 67.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 56.42 94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 18.0 t0 -163.26 64.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 51.0 t -41.69 -56.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.13 -35.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 32.5 tptt -94.1 -51.16 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -48.16 -36.88 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.19 -57.18 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -27.17 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.42 -39.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 18.1 t -68.99 -14.66 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.81 -34.65 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -83.86 -12.32 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.38 -54.51 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -58.85 -55.84 29.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -42.6 -58.27 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -56.45 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -48.29 -24.48 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 6.3 m -94.12 -52.79 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -52.29 -60.0 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -36.71 -60.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' HD12 ' A' ' 69' ' ' LEU . 20.4 t60 -39.46 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -52.16 -39.53 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -65.47 -10.21 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.66 -48.23 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -53.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.559 ' CD2' ' CG1' ' A' ' 72' ' ' VAL . 6.2 mp -72.42 -51.9 18.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.87 -35.09 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.76 -56.81 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.11 -52.92 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 79.7 t -60.44 143.3 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.07 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 1.8 p-10 -92.38 -58.21 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.7 t0 -39.36 -66.56 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 mt -39.9 -46.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 50' ' ' PRO . 74.9 mt -66.31 -54.34 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.466 HG23 ' CD2' ' A' ' 59' ' ' LEU . 1.3 m -48.11 -52.44 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -47.45 -53.72 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -46.38 -49.95 17.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 11.1 mt -52.44 -60.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 55' ' ' THR . 0.2 OUTLIER -63.12 -14.25 46.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.94 -23.28 60.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.6 m-70 -137.53 33.9 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HE2' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.3 68.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 6.0 m-85 56.11 92.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 8.7 t0 -159.46 60.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.493 ' CG1' HD12 ' A' ' 69' ' ' LEU . 54.9 t -40.16 -59.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 1.2 mt-30 -37.32 -36.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 26.8 tptt -93.4 -53.46 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -46.52 -35.64 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 40' ' ' HIS . 0.6 OUTLIER -65.78 -74.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 t -44.53 -34.79 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.22 -40.84 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' CD2' ' A' ' 45' ' ' LEU . 3.8 t -68.64 -45.6 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.49 -54.77 8.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.9 -48.48 76.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.29 -51.66 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' CYS . 37.9 mtt180 -53.63 -60.54 3.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' CD2' HG21 ' A' ' 58' ' ' ILE . 3.3 tm? -39.85 -56.99 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.5 -44.05 97.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -23.06 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 8.8 m -94.75 -60.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.503 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -41.16 -65.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' LEU . 6.3 t70 -34.98 -35.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 17.0 t60 -63.41 -69.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.48 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.98 -21.21 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.77 -20.32 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.51 -29.26 16.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -94.4 -50.93 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.546 ' CD2' ' CG1' ' A' ' 72' ' ' VAL . 2.5 mp -92.72 -54.25 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.1 -30.46 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 64.8 m-20 -44.03 -46.14 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.9 -53.38 2.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -69.46 160.33 79.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 1.5 p-10 -94.2 -59.12 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -39.59 -64.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 8.4 mt -36.78 -45.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.475 ' CD2' HG22 ' A' ' 49' ' ' VAL . 43.6 mt -73.96 -54.39 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.503 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 91.0 m -43.09 -43.08 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.0 mt-10 -61.2 -54.33 45.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.77 -45.05 7.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 5.1 mt -57.38 -55.27 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.81 -14.27 61.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -73.06 -17.6 61.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 11.1 m-70 -140.32 32.45 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.548 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.91 63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE2' ' CE ' ' A' ' 62' ' ' LYS . 28.6 m-85 60.91 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -157.84 61.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 72.6 t -40.39 -55.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -51.99 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HG3' ' CG2' ' A' ' 71' ' ' VAL . 13.0 tptt -76.37 -57.77 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -40.95 -37.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -67.35 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -50.62 -33.0 20.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 67' ' ' LYS . 54.5 t -77.73 -41.07 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.546 ' CG1' ' CD2' ' A' ' 45' ' ' LEU . 5.8 t -68.23 -48.32 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.3 mp -44.05 -54.52 5.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.12 -49.88 70.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.1 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -48.12 -45.51 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -56.34 -67.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 2.5 m-85 -53.23 -38.17 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -59.98 -25.56 65.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.8 m -94.81 -24.9 16.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.607 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.66 -56.58 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -37.88 -32.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 83.4 t60 -67.37 -67.1 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.415 ' SD ' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -60.18 -13.3 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.506 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 7.8 ttt180 -80.64 -35.81 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.74 -24.46 53.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.483 ' CG1' HD13 ' A' ' 45' ' ' LEU . 69.6 t -94.98 -54.02 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.561 ' CD2' ' CG1' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -95.22 -54.12 3.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.26 -31.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 m-20 -39.26 -44.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.47 -53.55 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 54' ' ' LEU . 1.1 m -70.03 161.38 75.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.94 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.72 -58.16 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ILE . 3.8 t70 -39.7 -65.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.3 mt -35.93 -46.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 32.9 mt -70.26 -53.55 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.468 HG21 ' CD2' ' A' ' 59' ' ' LEU . 21.7 m -45.03 -48.15 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.35 -50.1 68.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -46.6 -45.91 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 5.6 mt -56.54 -58.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.4 OUTLIER -61.84 -14.69 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -75.21 -18.5 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 9.5 m-70 -137.47 30.39 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.9 68.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.458 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 5.1 m-85 54.11 92.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' LYS . 16.9 t0 -160.91 60.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 96.0 t -41.66 -54.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -38.24 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASP . 29.3 tptt -88.17 -51.12 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -49.37 -34.85 17.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 45' ' ' LEU . 3.1 mt -73.56 -34.1 65.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -74.0 -26.61 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -92.31 -48.12 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.561 ' CG1' ' CD2' ' A' ' 45' ' ' LEU . 55.8 t -57.86 -44.6 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.444 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 15.3 mt -47.6 -57.44 5.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.54 -50.32 74.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' LEU . 2.6 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -37.96 -66.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 21.8 mtt180 -42.44 -40.71 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.458 ' CD1' HG22 ' A' ' 58' ' ' ILE . 1.3 tt -72.46 -45.85 57.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.06 -36.69 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -63.04 -22.86 67.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LEU . 91.2 m -94.39 -45.9 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -39.1 -71.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t0 -35.11 -63.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -44.4 -70.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.506 ' SD ' ' CG2' ' A' ' 65' ' ' VAL . 1.3 ttp -57.24 -16.04 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -71.89 -54.3 10.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.39 -15.55 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.05 -74.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CD2' HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -95.49 -32.66 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -35.34 -33.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 13.0 t0 -41.19 -60.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.24 -43.59 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 45' ' ' LEU . 70.7 t -62.86 137.32 96.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -92.53 -50.09 5.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.14 -66.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -39.73 -44.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 41' ' ' MET . 33.0 mt -69.35 -47.96 62.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.437 HG23 ' CD1' ' A' ' 59' ' ' LEU . 92.6 m -50.94 -57.31 8.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.44 -63.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.43 -44.64 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 34' ' ' LEU . 11.2 mt -57.3 -52.94 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.437 ' CD1' HG23 ' A' ' 55' ' ' THR . 1.4 mt -64.79 -13.42 55.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.499 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -84.55 -13.72 50.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 20.4 m-70 -136.91 28.95 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.81 79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 33' ' ' ARG . 5.8 m-85 40.05 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' LYS . 12.1 t0 -169.08 62.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -43.43 -36.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -53.9 -39.64 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -92.74 -26.31 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -75.4 -22.98 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 65' ' ' VAL . 5.8 mt -75.2 -45.25 41.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.8 m -57.25 -29.25 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.8 t -92.24 -49.53 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 21.4 t -54.64 -31.63 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 mt -82.48 -51.26 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -51.76 -43.44 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -38.11 60.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -69.93 -59.46 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -42.91 -53.16 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.14 -41.3 87.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -22.8 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 58' ' ' ILE . 2.0 t -94.37 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 108.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -38.31 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -49.08 -50.97 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 65' ' ' VAL . 11.8 t60 -58.0 -66.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -59.49 -10.97 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -22.62 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -96.16 -76.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 1.7 mp -78.03 -41.75 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 42' ' ' ARG . . . -36.15 -32.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -40.43 -55.25 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.65 -51.32 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 50' ' ' PRO . 1.6 t -61.18 141.85 93.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' N ' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.4 p30 -88.97 -55.66 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.3 t70 -37.96 -63.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.1 mt -39.71 -59.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 42' ' ' ARG . 51.1 mt -57.11 -53.88 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.458 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 98.3 m -43.94 -57.32 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.8 mt-10 -42.75 -48.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.05 -48.1 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 20.8 mt -55.28 -51.53 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -70.41 -14.06 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -78.72 -19.19 52.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.538 ' NE2' ' CG2' ' A' ' 71' ' ' VAL . 42.9 m-70 -137.68 31.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.28 66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 56.68 100.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -168.6 73.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 40' ' ' HIS . 77.3 t -40.57 -56.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -38.87 -52.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' ALA . 10.0 tptt -74.76 -57.46 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.509 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -39.63 -43.12 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.2 mt -72.17 -52.25 17.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -30.82 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.538 ' CG2' ' NE2' ' A' ' 61' ' ' HIS . 15.6 t -89.62 -44.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 25.2 t -64.51 -14.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' LEU . 67.2 mt -92.07 -54.57 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.13 -23.32 20.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.514 ' OE1' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.27 -38.71 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -56.47 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -45.02 -63.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -43.38 -57.57 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 p -47.09 -25.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 6.9 m -94.89 -64.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.483 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.4 OUTLIER -38.89 -62.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.9 m-20 -36.07 -53.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -44.27 -74.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.473 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -55.11 -39.32 69.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -66.61 -11.18 52.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' ASP . 2.6 tt0 -81.68 -48.4 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.27 -55.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ASP . 5.3 mp -70.75 -50.97 30.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.18 -29.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' LEU . 30.0 t0 -39.26 -50.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.25 -55.87 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' CG2' ' HD2' ' A' ' 50' ' ' PRO . 5.5 p -61.0 142.69 92.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.51 ' HD2' ' CG2' ' A' ' 49' ' ' VAL . 18.2 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 2.9 p-10 -91.35 -39.94 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -52.77 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -40.08 -64.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.502 ' CD2' HG12 ' A' ' 49' ' ' VAL . 48.7 mt -49.54 -49.03 47.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -53.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -41.75 -45.2 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.53 76.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' THR . 9.4 mt -54.85 -55.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -14.15 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -73.64 -14.67 61.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -144.14 30.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.99 65.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.555 ' CE2' ' HE2' ' A' ' 62' ' ' LYS . 23.5 m-85 60.83 91.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 67' ' ' LYS . 3.4 t0 -160.7 63.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.503 ' CG1' ' CD1' ' A' ' 69' ' ' LEU . 67.6 t -39.39 -54.93 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -81.22 -59.43 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -42.39 -33.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.503 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 9.3 mt -73.0 -58.01 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -47.82 -28.97 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.05 -49.31 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 5.2 t -54.16 -45.26 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.83 -53.86 53.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -50.22 74.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.57 -38.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -48.33 41.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -52.55 -55.93 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -58.24 -45.43 87.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -60.63 -21.11 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 63.4 m -94.28 -55.75 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -46.45 -48.29 18.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -43.19 -60.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -44.07 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.485 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 2.8 mtm -53.82 -17.26 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' LEU . 30.4 ttt180 -86.37 -11.55 51.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -92.7 -34.11 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 45' ' ' LEU . 12.4 p -93.64 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' A' ' 41' ' ' MET . 1.0 OUTLIER -85.12 -50.3 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -30.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m-20 -39.08 -58.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.37 -38.89 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 53.7 t -68.84 144.36 95.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -165.98 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.48 -49.87 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 5.0 m-20 -39.1 -67.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.5 mt -38.8 -57.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 61.4 mt -56.11 -55.52 31.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 59' ' ' LEU . 4.3 m -47.88 -57.55 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LYS . 14.0 mt-10 -47.57 -55.0 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.06 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 8.7 mt -53.09 -60.07 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.18 -14.29 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -74.98 -22.19 58.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.3 m-70 -134.68 32.81 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.51 68.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.461 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 6.5 m-85 55.82 89.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.64 83.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 53.1 t -56.95 -55.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -38.08 -34.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -93.9 -54.57 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -47.48 -33.78 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' HD11 ' A' ' 45' ' ' LEU . 5.8 mt -73.57 -46.23 48.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -28.9 64.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.7 t -92.26 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 12.3 t -57.21 -46.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.76 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.8 -55.75 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.7 -54.33 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -62.28 -48.46 79.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -53.8 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 1.4 m-85 -55.21 -44.03 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 t -59.03 -24.45 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 12.5 m -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -72.35 -58.75 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 51.9 t0 -40.65 -52.74 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -44.38 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -34.98 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.7 -60.14 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -14.41 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -91.42 -75.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.1 mp -96.96 -28.72 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.26 -30.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -36.23 -42.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.82 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.501 ' CG2' ' HD2' ' A' ' 50' ' ' PRO . 9.3 p -64.36 141.69 98.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.501 ' HD2' ' CG2' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -89.9 -41.06 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ILE . 12.3 m-20 -51.95 -66.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 4.1 mt -38.87 -60.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.499 HD21 ' CG1' ' A' ' 49' ' ' VAL . 43.9 mt -53.73 -53.92 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.3 m -46.72 -59.12 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.8 -45.59 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.08 -46.33 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 34' ' ' LEU . 6.0 mt -56.88 -55.79 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -14.4 60.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 1.1 tpmt? -77.57 -15.89 58.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.5 m-70 -138.88 28.01 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.12 66.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 55.73 91.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 10.4 t0 -160.33 60.84 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 78.5 t -40.61 -57.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -37.93 -36.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 16.5 tptt -93.97 -51.65 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -48.08 -30.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 45' ' ' LEU . 3.2 mt -72.18 -53.12 13.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.67 -26.6 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.6 t -91.88 -42.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 12.3 t -63.33 -14.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -92.2 -49.57 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 9.3 pt-20 -64.91 -18.05 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.04 -56.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -49.96 -54.02 22.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.8 tm? -46.83 -61.6 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CD1' HD21 ' A' ' 38' ' ' LEU . 2.1 m-85 -54.87 -38.06 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -25.6 64.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 31.4 m -94.85 -22.28 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.77 -59.64 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.42 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 49.9 t0 -44.53 -39.05 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.09 -71.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.51 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.8 -13.76 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.496 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 14.2 ttt180 -76.71 -26.27 54.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -12.67 29.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.88 -74.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.4 mp -97.18 -27.93 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.33 -32.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.5 t0 -38.76 -38.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -54.44 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.492 ' CG1' HD21 ' A' ' 54' ' ' LEU . 9.8 p -67.25 141.39 96.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.16 -33.73 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -58.56 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.0 mt -38.98 -64.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.492 HD21 ' CG1' ' A' ' 49' ' ' VAL . 65.5 mt -46.78 -50.34 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.09 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -43.77 -40.1 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.86 82.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.402 HG21 ' CD2' ' A' ' 34' ' ' LEU . 5.4 mt -52.13 -52.03 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -27.53 67.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -58.96 -17.27 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.487 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 5.8 m-70 -140.22 23.59 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HA ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 42.54 79.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 46.03 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.0 t70 -153.7 57.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 53.7 t -40.28 -58.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.53 -36.69 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' ASP . 5.8 tmtm? -93.03 -54.25 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -47.06 -29.96 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' CD2' ' CG ' ' A' ' 41' ' ' MET . 5.8 mt -73.36 -49.01 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.3 t -54.31 -29.43 47.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.2 -47.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 9.0 t -55.37 -25.92 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -92.29 -50.13 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 21.9 tt0 -50.46 -30.31 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' TYR . 6.9 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -38.8 92.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -67.77 -28.8 67.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' GLN . 3.6 m-85 -86.52 -12.42 48.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -15.7 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 58' ' ' ILE . 26.4 p -94.68 -43.57 8.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.498 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -54.41 -71.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' LEU . 11.2 t70 -35.11 -57.89 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' NE2' HD13 ' A' ' 69' ' ' LEU . 32.5 t60 -38.85 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.497 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -56.72 -35.6 68.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.547 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.94 -8.24 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' ASP . 12.9 tt0 -87.95 -44.33 11.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 45' ' ' LEU . 9.4 p -94.41 -54.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 72' ' ' VAL . 34.6 mt -78.14 -47.98 16.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.547 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.33 -31.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.9 m-20 -38.51 -54.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.85 -53.3 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 83.1 t -59.8 143.22 87.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.501 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.37 -56.71 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.7 m-20 -38.27 -68.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.6 mt -39.59 -63.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.461 ' CD2' HG11 ' A' ' 49' ' ' VAL . 47.2 mt -49.6 -49.42 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.498 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 47.4 m -55.23 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -38.2 -53.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.95 -46.78 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.529 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 4.7 mt -63.85 -42.94 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.7 mm? -71.29 -13.62 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 1.4 tpmt? -84.23 -14.27 50.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 9.6 m-70 -133.93 27.02 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.55 67.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.472 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 59.7 m-85 58.46 97.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -174.31 65.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.505 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 54.8 t -41.7 -58.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -36.86 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' VAL . 3.7 tptp -94.09 -47.28 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.571 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -56.58 -41.05 76.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.497 ' CD2' ' CG ' ' A' ' 41' ' ' MET . 9.0 mt -70.53 -42.78 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -30.19 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.48 -49.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 45' ' ' LEU . 4.4 t -54.01 -41.6 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.07 -57.33 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.03 -52.19 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m -66.1 144.95 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t 45.43 80.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.94 -93.31 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -126.78 115.18 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -150.56 164.64 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 160.99 21.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.43 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.93 -58.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.25 -67.29 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -39.3 -51.46 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -57.7 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.88 -56.29 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -42.13 -51.74 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 64.58 99.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 57.69 161.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 t -49.47 108.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.46 -57.66 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -127.51 128.69 46.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -56.7 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tp -40.53 -63.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -40.83 -67.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -40.71 -57.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -44.93 -60.39 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.56 -38.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt 60.0 153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -66.12 137.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.43 -47.04 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -51.51 -73.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ARG . 93.9 m-20 -44.2 -53.97 6.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.15 -36.53 41.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.3 mmt180 -73.33 -50.97 19.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -52.8 -56.99 11.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.97 -43.71 94.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -62.96 -20.66 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 84.6 m -94.46 -60.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -41.79 -60.15 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 m-20 -38.88 -54.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -51.35 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -50.02 -21.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.41 -57.67 6.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.4 -18.03 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.24 -74.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD1' HG11 ' A' ' 72' ' ' VAL . 1.8 mp -88.42 -38.92 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.23 -32.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -39.92 -59.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.27 -39.37 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.503 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 67.8 t -68.47 143.87 95.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.97 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.11 -52.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' ASP . 93.9 m-20 -38.69 -62.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -40.27 -56.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.4 mt -61.11 -52.18 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -45.37 -54.35 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -53.47 -59.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.59 -48.27 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 6.7 mt -56.38 -51.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.57 -14.1 62.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -74.15 -21.12 59.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' LYS . 8.9 m-70 -136.68 30.9 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.557 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 40.07 67.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.451 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 32.0 m-85 56.99 89.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -158.45 66.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 54.0 t -39.74 -55.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -41.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.7 tmtm? -86.06 -54.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.505 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -44.38 -38.65 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -72.5 -56.6 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -29.34 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.33 -46.54 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 10.6 t -59.84 -19.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' LEU . 25.3 mt -86.55 -52.06 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.52 -20.03 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.49 -44.82 85.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.51 -48.47 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.78 -26.25 7.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -45.86 70.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.51 -70.84 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 t -159.87 156.92 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.8 164.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -72.35 136.68 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -154.8 154.37 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 132.58 3.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.85 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m 71.28 -66.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.77 140.49 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -92.16 -53.07 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -47.59 -47.09 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.36 -65.98 0.77 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -38.05 -55.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.37 -49.86 67.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -43.27 -54.93 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.26 -50.78 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.48 90.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.94 108.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -179.43 146.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.8 -65.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.67 99.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -44.63 -43.68 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.11 -61.32 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tt -43.85 -61.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' LEU . 7.7 t-20 -42.85 -51.44 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -41.35 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.34 -39.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 55.3 mt 61.21 116.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 p -44.81 142.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.76 -55.94 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mm -48.11 -59.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -53.82 -52.36 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -39.95 -59.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.47 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -48.55 -50.15 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 58' ' ' ILE . 1.4 tm? -50.38 -56.82 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -61.67 -40.3 94.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -20.64 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 65.0 m -94.52 -42.45 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -56.26 -58.25 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -50.18 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -51.43 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -18.15 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.15 -20.92 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -16.85 23.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.01 -72.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD2' HG11 ' A' ' 72' ' ' VAL . 2.4 mp -90.69 -36.07 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.81 -30.88 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 m-20 -39.23 -56.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.33 -41.66 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 62.2 t -66.9 144.0 98.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.506 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.1 p-10 -92.05 -53.55 4.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' ASP . 64.2 m-20 -38.97 -65.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -40.08 -52.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.2 mt -61.28 -58.14 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.476 HG21 ' CD2' ' A' ' 59' ' ' LEU . 16.5 m -43.43 -53.09 5.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -43.19 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -55.09 -42.21 72.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.465 HD12 ' CD2' ' A' ' 34' ' ' LEU . 5.9 mt -59.29 -55.81 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.5 OUTLIER -64.26 -14.13 53.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.01 -18.33 61.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.8 m-70 -142.45 32.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.27 67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 9.7 m-85 57.0 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -161.09 67.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 55.0 t -41.62 -53.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -38.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.2 tmtp? -87.93 -51.44 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -48.33 -39.14 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' CD2' HD12 ' A' ' 45' ' ' LEU . 4.9 mt -72.91 -45.82 56.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -28.64 67.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.6 t -91.58 -45.27 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 26.2 t -61.72 -14.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 31.4 mt -89.33 -39.93 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -77.32 -21.79 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -68.61 -29.78 68.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -48.23 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.89 -27.76 5.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -37.29 63.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.49 -69.7 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.62 -61.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -98.33 -60.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.81 -58.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -130.39 165.5 22.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.15 -76.5 0.1 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -149.19 94.95 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -169.54 100.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.951 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 172.94 5.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.23 -58.08 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -92.52 -51.15 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.49 -61.53 4.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -38.79 -52.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.39 -57.1 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -53.12 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -48.7 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 42.54 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -160.0 168.65 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -163.01 78.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.52 -56.95 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -74.77 169.46 17.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -68.18 -56.39 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mt -43.82 -62.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -55.09 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.55 -55.47 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -43.32 -54.15 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.618 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.03 -53.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mt 62.73 132.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.1 p -47.24 148.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -24.08 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.7 mt -74.85 -67.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -47.98 -41.7 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.18 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.77 -46.53 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -68.4 -51.11 47.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -49.81 -53.61 24.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.419 ' N ' HD12 ' A' ' 34' ' ' LEU . 1.8 m-85 -59.2 -45.93 89.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -21.14 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 72.0 m -94.22 -48.9 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 54' ' ' LEU . 0.3 OUTLIER -52.94 -64.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' LEU . 46.7 t0 -37.73 -56.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -40.49 -72.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.611 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.499 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.12 -27.83 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.3 OUTLIER -61.63 -22.83 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -13.8 27.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.3 t -91.14 -73.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.2 mp -94.61 -33.66 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.38 -30.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' LEU . 5.0 t70 -40.07 -52.39 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.07 -37.63 5.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.47 ' CG1' ' HG ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.38 145.15 87.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' N ' HG11 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.93 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.16 -55.36 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.4 m-20 -39.51 -64.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mt -39.47 -62.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' HG ' ' CG1' ' A' ' 49' ' ' VAL . 69.6 mt -54.13 -53.02 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.448 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 86.2 m -49.25 -59.7 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.69 -48.22 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.04 -48.6 52.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 5.5 mt -53.66 -55.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.65 -14.12 62.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.39 -19.85 61.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' LYS . 25.2 m-70 -139.46 35.84 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.83 67.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.461 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 16.6 m-85 55.91 90.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 15.1 t0 -156.36 65.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 42.9 t -39.36 -55.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.53 -49.49 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -77.73 -58.45 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.492 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -41.18 -33.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.499 ' CD2' ' CG ' ' A' ' 41' ' ' MET . 7.6 mt -73.19 -52.68 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -29.93 9.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.23 -50.8 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 11.9 t -52.48 -40.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.1 mt -52.57 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -43.51 -62.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -60.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -46.35 -42.46 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.54 -26.67 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.3 m -54.18 -44.2 71.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.26 -70.09 0.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 126.86 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.2 163.32 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 57.75 -92.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.05 91.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.8 -166.74 22.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -108.32 94.92 5.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -80.69 -57.24 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.55 89.26 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -27.98 63.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 0.747 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -95.53 -48.64 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.44 -62.99 1.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -51.62 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.5 -60.56 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -54.75 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' NE ' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -51.0 -52.23 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' NE ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -168.93 155.09 6.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -58.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -76.76 130.93 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.93 -59.58 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -169.03 97.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 t -90.18 -56.75 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -61.72 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -66.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -42.03 -53.9 3.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -42.99 -56.83 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.63 -45.14 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt 62.52 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -48.49 147.94 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -47.18 -54.23 11.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.92 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.83 -57.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -41.44 -59.97 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -40.3 -63.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -52.86 -47.08 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -52.47 -59.78 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.419 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 2.3 m-85 -59.5 -34.33 72.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -22.66 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 83.0 m -94.38 -18.81 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -86.1 -58.55 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LEU . 55.7 t0 -39.68 -55.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -52.21 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.56 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.8 -21.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.72 -53.67 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.66 -16.82 4.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.48 -74.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 72' ' ' VAL . 1.2 mp -92.2 -36.31 13.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.75 -31.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 -39.71 -56.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.19 -37.28 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.423 ' CG1' HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -70.33 143.44 90.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.31 -48.32 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ILE . 2.5 m-20 -43.48 -63.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ASP . 11.7 mt -39.42 -57.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.423 HD21 ' CG1' ' A' ' 49' ' ' VAL . 55.8 mt -57.87 -56.46 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 59' ' ' LEU . 13.0 m -46.98 -55.4 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.76 -43.72 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.26 75.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 8.4 mt -58.35 -56.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.469 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.69 -14.23 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -77.25 -16.29 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.1 m-70 -139.19 30.34 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER 39.41 66.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 15.7 m-85 55.78 89.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.29 83.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 93.1 t -55.75 -54.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -34.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -52.36 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -48.29 -35.77 12.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mt -73.32 -51.65 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -53.38 -28.34 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.0 t -92.12 -50.24 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 14.9 t -53.89 -37.21 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -57.42 7.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.08 -50.24 74.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -46.29 -34.51 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.96 -39.88 75.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -93.5 -39.14 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.78 -68.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.92 5.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.53 109.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.07 154.27 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.37 97.89 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -132.42 110.02 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.12 -155.95 26.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.99 -60.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t 75.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.03 89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.38 -50.27 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.84 -49.41 65.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.82 -65.21 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -37.71 -51.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.11 -59.27 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.99 -53.53 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tp -44.15 -51.82 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 65.46 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.53 83.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 146.82 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -90.89 -59.17 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 57.68 92.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.93 -59.2 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.64 -55.69 5.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -45.3 -62.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.13 -59.66 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -40.57 -47.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.596 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -43.06 -48.03 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mt 57.69 108.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -48.46 154.53 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.71 -30.2 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.38 -71.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -47.17 -54.28 11.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.03 -59.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.15 -65.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -45.69 -50.52 13.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -59.75 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.22 -48.59 24.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -52.64 -24.15 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 4.2 t -93.97 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -39.02 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' LEU . 25.4 t0 -36.95 -59.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 42' ' ' ARG . 85.1 t60 -52.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.449 ' SD ' ' CD2' ' A' ' 54' ' ' LEU . 4.9 ttm -42.3 -26.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.8 ttt180 -59.7 -53.1 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.7 -16.67 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.0 t -92.4 -74.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 72' ' ' VAL . 1.6 mp -92.15 -35.87 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.08 -32.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -42.17 -53.64 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.46 -52.55 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 54' ' ' LEU . 1.4 t -61.33 141.41 94.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -88.66 -53.22 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.2 m-20 -39.22 -60.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 mt -41.74 -56.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 49' ' ' VAL . 35.6 mt -60.56 -55.53 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.464 HG22 ' CD2' ' A' ' 59' ' ' LEU . 2.8 m -43.11 -52.47 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.2 mm-40 -51.95 -54.43 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 72' ' ' VAL . . . -44.23 -50.64 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CG1' ' SG ' ' A' ' 37' ' ' CYS . 28.8 mt -52.31 -61.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.26 -14.12 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.49 -14.56 60.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 67' ' ' LYS . 56.4 m-70 -144.39 32.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.43 66.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 57.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -167.86 74.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 63.2 t -40.31 -55.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -41.41 -57.51 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 1.1 mmtp -67.44 -60.46 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -39.63 -43.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD2' HD13 ' A' ' 45' ' ' LEU . 11.9 mt -72.47 -52.62 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.94 -31.62 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.2 t -92.14 -49.33 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 23.2 t -56.87 -18.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' LEU . 46.6 mt -89.26 -53.46 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.64 -14.08 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -36.2 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -65.87 -52.81 47.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.12 -27.6 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.0 t -51.57 -45.91 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.973 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.59 -71.72 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 72.87 4.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.7 p -142.5 116.64 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.3 p -110.88 127.4 55.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -106.42 154.36 20.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -109.97 -58.26 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.36 -59.7 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p -42.26 160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.956 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 60.25 165.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.24 69.27 0.51 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.14 -24.92 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -50.9 -35.33 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.68 -59.66 4.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -38.26 -60.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -45.23 -60.35 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -60.55 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.43 -46.47 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -47.69 -57.72 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 176.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.26 130.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -51.2 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 m120 60.28 115.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -49.66 -49.37 47.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -44.55 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -51.51 -56.28 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -44.34 -41.72 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 33.0 t60 -42.05 -53.0 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -82.18 -22.95 35.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.445 HD23 ' CB ' ' A' ' 30' ' ' ASP . 5.5 mt 63.6 120.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -54.13 139.26 35.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 -52.03 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.6 mt -44.34 -63.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' CB ' HD23 ' A' ' 26' ' ' LEU . 65.5 m-20 -51.85 -58.21 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -41.33 -59.76 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.9 -46.87 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -64.22 -59.73 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 35' ' ' TYR . 2.3 tm? -40.61 -53.45 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.428 ' N ' HD12 ' A' ' 34' ' ' LEU . 3.2 m-85 -65.18 -39.15 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 82.5 m -94.87 -15.27 23.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 42' ' ' ARG . 1.4 tp -93.21 -59.37 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -46.78 -40.7 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -62.5 -53.56 52.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' CG ' ' HG ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -70.08 -13.81 62.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.4 mmm180 -74.32 -51.07 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -15.71 4.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.2 t -91.98 -74.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -94.5 -33.38 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 20.7 m-20 -39.17 -53.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.47 -43.13 3.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 76.8 t -66.45 143.43 98.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -52.43 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 -64.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -39.57 -63.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 ' CD1' ' HG2' ' A' ' 42' ' ' ARG . 52.2 mt -52.15 -50.87 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 59' ' ' LEU . 20.0 m -50.34 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' LYS . 5.9 mt-10 -39.07 -52.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.86 -50.81 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 10.6 mt -51.24 -61.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.7 -14.17 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.14 -21.69 56.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' LYS . 44.4 m-70 -136.91 34.15 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.32 73.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.472 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 11.9 m-85 50.65 88.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 73.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG1' HD13 ' A' ' 69' ' ' LEU . 75.0 t -45.39 -54.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.75 -48.45 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -78.15 -58.31 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.497 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -41.29 -37.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.483 ' HG ' ' CG ' ' A' ' 41' ' ' MET . 6.5 mt -74.07 -52.94 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -28.04 15.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.405 HG21 ' NE2' ' A' ' 61' ' ' HIS . 95.3 t -92.27 -49.22 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 10.3 t -55.09 -44.37 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.2 mt -48.21 -62.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -54.18 -60.45 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -41.43 -48.09 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.42 -54.05 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.82 -27.7 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -45.16 82.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.8 -69.72 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 72.29 4.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.4 p -66.91 128.14 35.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.0 p -105.94 118.3 36.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.97 118.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -58.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 -112.09 0.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.85 150.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 0.785 . . . . 0.0 110.058 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.49 146.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.052 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.22 103.59 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -59.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.56 -51.18 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.02 -58.53 1.88 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -39.08 -56.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.39 -57.35 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.89 -52.34 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mp -43.42 -44.92 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 60.47 158.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -46.16 -47.21 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 61.16 6.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 t -88.21 -62.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -161.53 169.37 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -49.35 -42.4 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.31 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.3 -60.18 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -44.66 -45.16 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -48.69 -56.02 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -50.52 -24.89 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt 50.63 -171.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 p -108.26 146.35 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -39.47 -57.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -51.18 -59.93 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' GLN . 93.4 m-20 -50.67 -57.08 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -38.95 -57.09 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.38 -62.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -47.41 -49.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.99 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -45.9 -38.95 8.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 p -54.64 -27.33 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 8.7 m -93.32 -52.53 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -44.05 -50.23 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' LEU . 18.8 t70 -39.94 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 38' ' ' LEU . 83.9 t60 -84.95 -76.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.567 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.471 ' HE3' ' CD2' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -47.54 -22.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.65 -26.53 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -92.89 -12.9 29.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 t -90.31 -73.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.2 mp -97.03 -31.97 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.17 -30.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.0 -54.39 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.54 -45.56 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.468 HG13 ' CG2' ' A' ' 53' ' ' ILE . 1.6 t -63.41 138.9 97.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -85.28 -54.96 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' ASP . 17.9 m-20 -38.74 -63.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -39.62 -52.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD2' ' HE3' ' A' ' 41' ' ' MET . 35.2 mt -64.4 -58.41 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.2 m -42.0 -47.53 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' LYS . 1.2 mm-40 -55.01 -62.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.468 ' CD1' HD12 ' A' ' 38' ' ' LEU . 26.4 mt -56.51 -50.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.93 -14.01 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -76.02 -22.08 56.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.545 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 5.0 m-70 -135.69 31.18 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' CE ' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.92 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.458 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 24.5 m-85 56.99 90.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' VAL . 12.9 t0 -156.84 64.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 25.2 t -38.98 -57.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.64 -44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' CD ' HG23 ' A' ' 71' ' ' VAL . 2.1 tmtt? -83.92 -55.91 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -42.4 -38.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.43 -44.98 57.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.43 -27.89 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.458 HG23 ' CD ' ' A' ' 67' ' ' LYS . 88.8 t -92.11 -46.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 27.7 t -59.07 -46.81 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.33 -59.61 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -48.38 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.38 69.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -48.24 -40.42 24.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.76 -25.6 49.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 t -55.78 -57.87 10.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 0.732 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.43 -70.5 0.33 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.14 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.88 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.5 m 60.01 82.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.509 1.131 . . . . 0.0 110.931 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -129.92 159.9 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.87 159.23 25.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.53 146.66 0.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.582 1.177 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -171.68 -57.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -113.01 -55.55 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.72 98.15 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -80.64 -56.24 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -39.78 -49.98 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.24 -62.82 5.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -43.2 -39.95 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.44 -55.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -47.28 -25.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.39 -37.66 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -45.9 169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -158.16 108.45 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -53.38 140.08 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.7 p -82.59 -54.41 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -151.9 162.86 40.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -44.27 -47.47 9.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -47.8 -65.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tp -41.04 -57.4 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -49.29 -52.32 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -43.05 -59.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -43.1 -35.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mt 52.32 179.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -104.39 156.17 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.05 -66.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -41.45 -66.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 67.2 m-20 -40.88 -64.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.49 -59.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.33 -36.89 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -71.67 -45.43 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.23 -59.95 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -34.69 15.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.59 -27.64 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . 0.7 OUTLIER -83.29 -33.61 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER -60.04 -74.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -36.6 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 38' ' ' LEU . 36.2 t60 -81.42 -75.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.533 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -49.61 -53.52 23.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -43.7 -58.1 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 0.4 OUTLIER -50.75 -22.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' MET . 19.8 t -91.68 -75.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 72' ' ' VAL . 1.1 mp -83.81 -41.62 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -47.16 -42.15 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.8 -53.18 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' CG2' HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.11 157.57 89.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -93.33 -44.1 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -55.1 -60.08 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.471 HD11 ' N ' ' A' ' 53' ' ' ILE . 1.4 mp -39.84 -37.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 ' HB3' ' CE ' ' A' ' 41' ' ' MET . 54.9 mt -77.83 -53.13 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 58' ' ' ILE . 1.8 m -47.36 -44.12 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.89 -46.75 78.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.47 -45.14 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 55' ' ' THR . 10.2 mt -54.1 -57.37 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.29 -14.47 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.55 -23.74 61.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CG ' ' HG2' ' A' ' 67' ' ' LYS . 36.0 m-70 -137.01 33.83 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.46 73.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.447 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 6.3 m-85 49.71 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -160.4 72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 56.7 t -41.73 -56.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.89 -40.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.66 -54.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.42 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -44.76 -39.52 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 45' ' ' LEU . 3.6 mt -71.14 -60.65 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 t -45.82 -31.78 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.412 HG23 ' NE2' ' A' ' 61' ' ' HIS . 94.4 t -86.72 -51.55 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 45' ' ' LEU . 3.8 t -52.26 -47.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.37 -63.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -57.84 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -40.6 -60.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -40.77 -42.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.43 -42.34 14.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.17 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.02 -71.88 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.0 p 174.31 114.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.6 m 66.58 169.54 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 62.96 158.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -76.65 162.63 27.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.66 76.26 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -169.83 119.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.023 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 p -153.37 106.08 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 64.65 1.61 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.87 -59.06 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -53.12 -51.63 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.84 -61.35 1.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 3.6 t80 -43.63 -52.08 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.48 -57.98 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.07 -51.89 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.46 -52.06 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.67 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -174.87 69.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m 40.23 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.563 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 6.5 t -48.76 -60.19 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t30 176.66 167.82 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -48.36 -56.55 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.51 -63.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -40.66 -50.91 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.84 -55.72 23.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.27 -39.49 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.1 mt 60.96 149.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -87.35 144.77 26.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -39.39 -58.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -40.49 -55.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 58.3 m-20 -66.17 -57.01 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -38.7 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -73.83 -63.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 ptm85 -55.47 -18.36 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.539 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -81.14 -37.81 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.62 -9.09 17.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -94.9 -21.33 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.553 ' SG ' ' CD1' ' A' ' 58' ' ' ILE . 31.0 p -96.31 -39.72 9.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -61.96 -73.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' LEU . 58.2 t0 -36.49 -41.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.406 ' NE2' HD11 ' A' ' 69' ' ' LEU . 14.0 t60 -57.56 -71.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.1 ttm -58.45 -34.23 70.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.05 -59.04 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -18.04 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.0 t -91.28 -74.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' ASP . 2.7 mp -88.99 -40.06 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -31.59 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 14.3 m-20 -47.12 -41.51 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.56 -53.32 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.439 ' CG2' HD22 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.51 159.28 85.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -54.75 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.3 m-20 -40.42 -64.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.7 mt -38.19 -58.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 47.4 mt -56.78 -52.44 65.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.449 HG22 ' CD2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -45.73 -60.38 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.2 mt-10 -43.13 -55.47 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.29 -47.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.553 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 5.3 mt -63.0 -41.81 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' CD2' HG22 ' A' ' 55' ' ' THR . 3.4 mm? -71.05 -13.78 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 2.2 tpmt? -82.81 -14.52 54.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.501 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.8 m-70 -133.68 25.65 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 38.62 65.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 33' ' ' ARG . 28.0 m-85 60.89 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 8.3 t0 -162.88 64.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 53.5 t -40.03 -56.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -38.78 -49.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -78.18 -57.71 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -41.06 -39.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 HD11 ' NE2' ' A' ' 40' ' ' HIS . 6.2 mt -73.31 -49.71 26.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -29.55 36.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.19 -48.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 7.3 t -53.64 -41.06 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.79 -60.11 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -54.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -57.41 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -60.21 -43.53 95.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.12 -27.69 11.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 t -52.22 -46.99 65.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.81 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.65 -71.49 0.52 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.53 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -89.04 106.34 18.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.4 t -112.82 91.04 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -165.17 157.95 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 163.29 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.97 -147.46 20.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 p -149.05 143.93 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.72 153.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.95 62.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.69 -58.13 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 0.799 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -39.33 -51.11 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -64.84 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.12 -53.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -58.94 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.75 -54.81 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 tt -45.12 -50.99 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.93 158.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 62.83 137.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 p -123.68 147.16 47.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -57.87 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.3 164.92 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 p -46.62 -51.22 16.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mt -45.61 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.24 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -47.25 -40.85 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -48.7 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.88 -31.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt 50.98 91.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -48.24 162.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -26.01 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.64 -68.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -45.81 -52.2 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -43.88 -57.08 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -59.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.63 -49.87 75.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.41 -63.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -50.77 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.67 -24.64 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 35.4 m -94.54 -60.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.082 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.503 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.1 OUTLIER -42.12 -61.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' LEU . 5.0 t0 -36.85 -33.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 t60 -69.45 -75.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -20.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.497 ' O ' ' CA ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -78.93 -43.18 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.98 -25.68 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.16 -75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 1.4 mp -75.3 -50.16 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 42' ' ' ARG . . . -36.74 -31.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t70 -48.13 -44.95 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -48.39 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.77 158.52 85.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -167.74 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.78 -55.59 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ILE . 67.6 m-20 -40.48 -63.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . 11.8 mt -37.73 -51.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.446 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 37.3 mt -65.65 -53.97 34.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.503 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 58.9 m -44.31 -51.61 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.3 mt-10 -50.71 -48.34 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.02 -47.47 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 mt -55.73 -57.1 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -65.2 -14.27 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.474 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -74.63 -17.84 60.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' ' 62' ' ' LYS . 34.1 m-70 -141.09 31.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.43 67.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 56.42 94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 18.0 t0 -163.26 64.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 51.0 t -41.69 -56.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.13 -35.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 32.5 tptt -94.1 -51.16 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.49 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -48.16 -36.88 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.19 -57.18 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -27.17 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.4 t -90.42 -39.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 18.1 t -68.99 -14.66 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.81 -34.65 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -83.86 -12.32 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -95.0 -26.29 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.25 -50.83 28.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.67 -22.38 5.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 t -58.72 -41.87 87.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.75 -70.55 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.76 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 t 47.21 80.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.04 -58.5 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -81.39 131.53 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -158.5 137.35 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 -165.8 12.7 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.95 158.62 16.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.11 -59.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.7 68.3 1.42 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 9' ' ' TYR . 12.3 pt-20 -67.47 -48.07 68.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -37.89 -54.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -60.85 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -38.79 -50.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.026 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.65 -58.31 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -41.59 -45.57 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.9 mm? -58.98 -52.06 67.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 3.2 ptt-85 44.79 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 39.27 69.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.15 114.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.93 -58.23 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.2 104.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.52 -53.57 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -43.0 -58.94 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -44.84 -54.27 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.71 -44.6 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -51.75 -69.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -57.29 -23.96 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mt 63.46 112.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -40.7 146.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -47.95 -46.17 31.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.28 -69.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.55 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -39.16 -58.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.38 -54.51 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -58.85 -55.84 29.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -42.6 -58.27 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -56.45 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -48.29 -24.48 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 6.3 m -94.12 -52.79 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -52.29 -60.0 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -36.71 -60.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' HD12 ' A' ' 69' ' ' LEU . 20.4 t60 -39.46 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -52.16 -39.53 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.2 OUTLIER -65.47 -10.21 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.66 -48.23 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -53.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.559 ' CD2' ' CG1' ' A' ' 72' ' ' VAL . 6.2 mp -72.42 -51.9 18.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.87 -35.09 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.76 -56.81 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.11 -52.92 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 79.7 t -60.44 143.3 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.07 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 1.8 p-10 -92.38 -58.21 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.7 t0 -39.36 -66.56 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 mt -39.9 -46.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 50' ' ' PRO . 74.9 mt -66.31 -54.34 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.466 HG23 ' CD2' ' A' ' 59' ' ' LEU . 1.3 m -48.11 -52.44 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -47.45 -53.72 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -46.38 -49.95 17.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.457 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 11.1 mt -52.44 -60.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 55' ' ' THR . 0.2 OUTLIER -63.12 -14.25 46.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.94 -23.28 60.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.6 m-70 -137.53 33.9 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HE2' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.3 68.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.457 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 6.0 m-85 56.11 92.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 8.7 t0 -159.46 60.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' CG1' HD12 ' A' ' 69' ' ' LEU . 54.9 t -40.16 -59.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 1.2 mt-30 -37.32 -36.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 26.8 tptt -93.4 -53.46 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -46.52 -35.64 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.581 HD12 ' CD2' ' A' ' 40' ' ' HIS . 0.6 OUTLIER -65.78 -74.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 t -44.53 -34.79 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.22 -40.84 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' CD2' ' A' ' 45' ' ' LEU . 3.8 t -68.64 -45.6 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.49 -54.77 8.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.9 -48.48 76.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -53.21 47.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -61.4 -49.55 76.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.83 -29.08 0.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -59.31 -43.54 92.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -45.31 -70.34 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 p -159.1 -55.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 m -102.12 -57.54 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p 48.53 87.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.58 156.8 16.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.73 -155.19 11.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m 44.0 84.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.13 168.57 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.73 52.5 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -24.17 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.73 -54.61 32.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.83 -63.44 1.03 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.77 -65.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.27 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -45.43 -39.85 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -52.12 57.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.75 127.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.34 90.63 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 t -173.07 102.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.4 p -80.53 -56.78 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -137.07 157.23 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -73.99 -53.5 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.9 -62.97 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -41.07 -64.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -46.26 -56.95 5.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -44.64 -54.81 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -34.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt 60.37 152.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -83.04 155.49 23.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -55.03 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.88 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.46 -49.15 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -54.21 -63.04 1.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.29 -51.66 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' CYS . 37.9 mtt180 -53.63 -60.54 3.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' CD2' HG21 ' A' ' 58' ' ' ILE . 3.3 tm? -39.85 -56.99 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.5 -44.05 97.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -23.06 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.492 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 8.8 m -94.75 -60.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.503 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.2 OUTLIER -41.16 -65.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' LEU . 6.3 t70 -34.98 -35.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 17.0 t60 -63.41 -69.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.48 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.98 -21.21 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.77 -20.32 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.51 -29.26 16.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.2 t -94.4 -50.93 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.546 ' CD2' ' CG1' ' A' ' 72' ' ' VAL . 2.5 mp -92.72 -54.25 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.1 -30.46 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 64.8 m-20 -44.03 -46.14 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.9 -53.38 2.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 54' ' ' LEU . 1.0 OUTLIER -69.46 160.33 79.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 1.5 p-10 -94.2 -59.12 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -39.59 -64.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 8.4 mt -36.78 -45.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.475 ' CD2' HG22 ' A' ' 49' ' ' VAL . 43.6 mt -73.96 -54.39 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.503 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 91.0 m -43.09 -43.08 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.0 mt-10 -61.2 -54.33 45.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.77 -45.05 7.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 5.1 mt -57.38 -55.27 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.81 -14.27 61.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -73.06 -17.6 61.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 11.1 m-70 -140.32 32.45 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.548 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.91 63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.548 ' CE2' ' CE ' ' A' ' 62' ' ' LYS . 28.6 m-85 60.91 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -157.84 61.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 72.6 t -40.39 -55.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -51.99 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HG3' ' CG2' ' A' ' 71' ' ' VAL . 13.0 tptt -76.37 -57.77 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.507 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -40.95 -37.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 0.6 OUTLIER -67.35 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -50.62 -33.0 20.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 67' ' ' LYS . 54.5 t -77.73 -41.07 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.546 ' CG1' ' CD2' ' A' ' 45' ' ' LEU . 5.8 t -68.23 -48.32 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.3 mp -44.05 -54.52 5.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.12 -49.88 70.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -64.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -48.17 -41.61 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.62 -26.66 0.74 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 m -59.29 -42.34 91.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 0.748 . . . . 0.0 109.969 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.19 -70.82 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.26 9.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.44 123.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.91 167.18 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.8 109.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.03 118.37 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.03 69.31 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -118.84 124.99 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -128.39 109.94 11.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 9' ' ' TYR . . . -111.96 116.35 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.85 -30.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -45.28 -57.73 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.06 -50.94 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -39.35 -49.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 13' ' ' ASP . 7.8 pt-20 -90.92 -34.35 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 18.2 t0 -44.04 -38.08 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.76 -50.72 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.9 162.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.25 147.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.88 122.64 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -84.4 -57.18 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -170.68 165.94 8.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -58.03 9.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 tp -45.57 -63.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.74 -64.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -43.9 -50.79 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -43.49 -50.65 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -40.73 17.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.0 mt 61.9 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -79.97 160.28 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -49.53 -46.34 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mt -68.34 -60.29 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.87 -58.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.92 -58.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.1 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -48.12 -45.51 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -56.34 -67.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.549 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 2.5 m-85 -53.23 -38.17 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -59.98 -25.56 65.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.8 m -94.81 -24.9 16.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.607 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.66 -56.58 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -37.88 -32.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 83.4 t60 -67.37 -67.1 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.415 ' SD ' ' HG ' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -60.18 -13.3 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.506 ' HA ' ' CD1' ' A' ' 54' ' ' LEU . 7.8 ttt180 -80.64 -35.81 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.74 -24.46 53.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.483 ' CG1' HD13 ' A' ' 45' ' ' LEU . 69.6 t -94.98 -54.02 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.561 ' CD2' ' CG1' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -95.22 -54.12 3.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.26 -31.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 m-20 -39.26 -44.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.47 -53.55 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 54' ' ' LEU . 1.1 m -70.03 161.38 75.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.94 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.72 -58.16 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ILE . 3.8 t70 -39.7 -65.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.3 mt -35.93 -46.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 42' ' ' ARG . 32.9 mt -70.26 -53.55 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.468 HG21 ' CD2' ' A' ' 59' ' ' LEU . 21.7 m -45.03 -48.15 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.35 -50.1 68.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -46.6 -45.91 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.458 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 5.6 mt -56.54 -58.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.4 OUTLIER -61.84 -14.69 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -75.21 -18.5 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 9.5 m-70 -137.47 30.39 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.9 68.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.458 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 5.1 m-85 54.11 92.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' LYS . 16.9 t0 -160.91 60.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.497 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 96.0 t -41.66 -54.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -38.24 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASP . 29.3 tptt -88.17 -51.12 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -49.37 -34.85 17.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 45' ' ' LEU . 3.1 mt -73.56 -34.1 65.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -74.0 -26.61 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -92.31 -48.12 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.561 ' CG1' ' CD2' ' A' ' 45' ' ' LEU . 55.8 t -57.86 -44.6 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.444 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 15.3 mt -47.6 -57.44 5.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.54 -50.32 74.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.7 -59.69 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -26.96 67.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.61 -24.24 1.68 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -65.41 -43.73 89.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.93 -70.19 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 110.2 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 p -93.02 107.35 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -87.16 82.19 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -105.8 107.24 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -133.01 -58.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.66 -66.51 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.499 ' HA ' ' CG ' ' A' ' 9' ' ' TYR . 68.2 m 49.62 97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -159.12 103.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.43 -114.97 5.08 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -40.04 -46.8 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.499 ' CG ' ' HA ' ' A' ' 5' ' ' SER . 6.0 m-85 -56.71 -52.03 66.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.19 -59.13 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.576 1.172 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -39.02 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -59.35 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.67 -55.26 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -52.81 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 133.13 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.75 168.26 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -117.82 123.85 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -63.0 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 174.25 -52.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -63.5 -54.72 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mt -52.03 -64.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.47 -53.68 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.7 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -45.22 -50.63 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -48.67 -54.35 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 64.31 96.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -40.9 152.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.16 -57.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.15 -59.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 31' ' ' GLN . 1.0 OUTLIER -45.12 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' LEU . 2.6 mt-30 -38.14 -62.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -37.96 -66.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 21.8 mtt180 -42.44 -40.71 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.458 ' CD1' HG22 ' A' ' 58' ' ' ILE . 1.3 tt -72.46 -45.85 57.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.06 -36.69 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -63.04 -22.86 67.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LEU . 91.2 m -94.39 -45.9 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.59 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -39.1 -71.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t0 -35.11 -63.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -44.4 -70.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.506 ' SD ' ' CG2' ' A' ' 65' ' ' VAL . 1.3 ttp -57.24 -16.04 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -71.89 -54.3 10.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.39 -15.55 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.05 -74.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CD2' HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -95.49 -32.66 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -35.34 -33.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 13.0 t0 -41.19 -60.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.24 -43.59 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 45' ' ' LEU . 70.7 t -62.86 137.32 96.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -92.53 -50.09 5.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.14 -66.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -39.73 -44.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 41' ' ' MET . 33.0 mt -69.35 -47.96 62.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.437 HG23 ' CD1' ' A' ' 59' ' ' LEU . 92.6 m -50.94 -57.31 8.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -51.44 -63.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.43 -44.64 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 34' ' ' LEU . 11.2 mt -57.3 -52.94 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' CD1' HG23 ' A' ' 55' ' ' THR . 1.4 mt -64.79 -13.42 55.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -84.55 -13.72 50.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 20.4 m-70 -136.91 28.95 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.81 79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 33' ' ' ARG . 5.8 m-85 40.05 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' LYS . 12.1 t0 -169.08 62.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -43.43 -36.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -53.9 -39.64 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -92.74 -26.31 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -75.4 -22.98 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 65' ' ' VAL . 5.8 mt -75.2 -45.25 41.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.8 m -57.25 -29.25 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.8 t -92.24 -49.53 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 21.4 t -54.64 -31.63 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 mt -82.48 -51.26 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -51.76 -43.44 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.6 -60.64 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.13 -48.63 61.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.92 -29.84 8.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -55.3 -41.89 72.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.82 -71.92 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 70.47 5.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 117.56 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 t -163.07 93.87 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.17 111.52 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.82 -58.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.61 89.77 1.97 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -118.57 124.27 47.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -77.68 -59.09 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.0 -113.15 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' TYR . 7.2 tt0 -63.74 -62.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 0.739 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -36.75 -52.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.66 -67.44 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -39.19 -48.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.07 -55.16 31.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.1 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -42.33 -52.43 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.36 106.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.26 173.33 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 t 69.99 -61.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -40.9 -59.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -41.42 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 -51.26 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -40.98 -56.02 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -42.06 -61.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -40.97 -52.33 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.4 -51.08 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -42.24 -45.69 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.63 103.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -61.5 150.44 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -38.91 -46.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mm -48.56 -67.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 33' ' ' ARG . 9.7 m-20 -55.63 -55.3 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -43.53 -52.09 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -38.11 60.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -69.93 -59.46 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -42.91 -53.16 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.14 -41.3 87.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -22.8 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 58' ' ' ILE . 2.0 t -94.37 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 108.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -38.31 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -49.08 -50.97 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' A' ' 65' ' ' VAL . 11.8 t60 -58.0 -66.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -59.49 -10.97 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -22.62 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.511 ' CG2' ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -96.16 -76.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' A' ' 44' ' ' VAL . 1.7 mp -78.03 -41.75 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 42' ' ' ARG . . . -36.15 -32.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -40.43 -55.25 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.65 -51.32 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 50' ' ' PRO . 1.6 t -61.18 141.85 93.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' N ' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.4 p30 -88.97 -55.66 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.3 t70 -37.96 -63.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.1 mt -39.71 -59.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 42' ' ' ARG . 51.1 mt -57.11 -53.88 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.458 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 98.3 m -43.94 -57.32 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.8 mt-10 -42.75 -48.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.05 -48.1 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 20.8 mt -55.28 -51.53 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -70.41 -14.06 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -78.72 -19.19 52.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.538 ' NE2' ' CG2' ' A' ' 71' ' ' VAL . 42.9 m-70 -137.68 31.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.28 66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 56.68 100.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -168.6 73.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' A' ' 40' ' ' HIS . 77.3 t -40.57 -56.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -38.87 -52.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' ALA . 10.0 tptt -74.76 -57.46 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.509 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -39.63 -43.12 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.2 mt -72.17 -52.25 17.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -30.82 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.538 ' CG2' ' NE2' ' A' ' 61' ' ' HIS . 15.6 t -89.62 -44.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 25.2 t -64.51 -14.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' LEU . 67.2 mt -92.07 -54.57 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.13 -23.32 20.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.65 -38.23 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -58.04 -28.31 64.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.72 -13.84 56.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 p -70.84 -48.59 53.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -45.22 -62.99 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 99.64 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -163.3 -64.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.952 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -98.18 143.52 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -58.08 142.91 45.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.037 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -177.78 98.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.84 147.37 4.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.66 151.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.26 141.09 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.17 -109.76 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -28.14 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -59.76 -47.36 86.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.3 3.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -44.89 -52.92 8.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.82 -58.38 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -41.97 -55.8 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -47.77 -48.8 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.21 91.6 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.6 65.53 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 p 176.1 61.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.4 m -91.47 -58.57 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 179.94 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -41.72 -56.06 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.39 -64.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -47.74 -55.21 10.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -49.82 -56.2 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -40.34 -56.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.54 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -44.14 4.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mt 50.29 -177.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -89.91 163.61 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.82 -40.84 89.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mm -76.04 -56.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -41.15 -47.56 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' OE1' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.2 -61.98 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.27 -38.71 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -56.47 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -45.02 -63.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -43.38 -57.57 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 p -47.09 -25.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 6.9 m -94.89 -64.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.483 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.4 OUTLIER -38.89 -62.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.9 m-20 -36.07 -53.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -44.27 -74.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.473 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -55.11 -39.32 69.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -66.61 -11.18 52.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' ASP . 2.6 tt0 -81.68 -48.4 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.27 -55.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' ASP . 5.3 mp -70.75 -50.97 30.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.18 -29.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' LEU . 30.0 t0 -39.26 -50.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.25 -55.87 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' CG2' ' HD2' ' A' ' 50' ' ' PRO . 5.5 p -61.0 142.69 92.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.51 ' HD2' ' CG2' ' A' ' 49' ' ' VAL . 18.2 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 2.9 p-10 -91.35 -39.94 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -52.77 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -40.08 -64.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.502 ' CD2' HG12 ' A' ' 49' ' ' VAL . 48.7 mt -49.54 -49.03 47.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -53.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -41.75 -45.2 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.53 76.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' THR . 9.4 mt -54.85 -55.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.83 -14.15 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -73.64 -14.67 61.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -144.14 30.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.555 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.99 65.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.555 ' CE2' ' HE2' ' A' ' 62' ' ' LYS . 23.5 m-85 60.83 91.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 67' ' ' LYS . 3.4 t0 -160.7 63.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.503 ' CG1' ' CD1' ' A' ' 69' ' ' LEU . 67.6 t -39.39 -54.93 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -81.22 -59.43 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -42.39 -33.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.503 ' CD1' ' CG1' ' A' ' 65' ' ' VAL . 9.3 mt -73.0 -58.01 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -47.82 -28.97 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.05 -49.31 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 5.2 t -54.16 -45.26 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.83 -53.86 53.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -50.22 74.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -53.74 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.8 -33.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.63 -24.3 1.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -43.51 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -45.41 -70.26 0.65 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 129.89 12.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -46.08 64.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.81 121.29 35.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -92.94 123.15 35.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.48 155.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 163.84 23.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -157.22 138.89 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.37 -61.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.86 84.26 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.28 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.22 -42.9 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.32 -59.85 7.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -42.55 -50.28 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.16 -60.51 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.74 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -50.51 52.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.89 176.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.97 139.37 0.68 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.73 154.87 5.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.4 p -52.36 -21.76 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.56 -172.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -21.42 18.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -47.68 62.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.93 -63.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -40.76 -57.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -40.04 -45.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -51.21 -51.46 53.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mt 52.4 177.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -89.09 161.64 16.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.28 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -53.44 -56.46 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.82 -60.12 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -42.81 -58.48 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.57 -38.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -48.33 41.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -52.55 -55.93 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -58.24 -45.43 87.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -60.63 -21.11 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 63.4 m -94.28 -55.75 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -46.45 -48.29 18.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -43.19 -60.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -44.07 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.485 ' HG2' ' CD1' ' A' ' 45' ' ' LEU . 2.8 mtm -53.82 -17.26 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' LEU . 30.4 ttt180 -86.37 -11.55 51.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -92.7 -34.11 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 HG11 ' N ' ' A' ' 45' ' ' LEU . 12.4 p -93.64 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD1' ' HG2' ' A' ' 41' ' ' MET . 1.0 OUTLIER -85.12 -50.3 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -30.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m-20 -39.08 -58.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.37 -38.89 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 53.7 t -68.84 144.36 95.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -165.98 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.48 -49.87 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 5.0 m-20 -39.1 -67.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.5 mt -38.8 -57.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 61.4 mt -56.11 -55.52 31.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 59' ' ' LEU . 4.3 m -47.88 -57.55 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LYS . 14.0 mt-10 -47.57 -55.0 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.06 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 63' ' ' PHE . 8.7 mt -53.09 -60.07 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.18 -14.29 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 56' ' ' GLU . 0.1 OUTLIER -74.98 -22.19 58.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.3 m-70 -134.68 32.81 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.51 68.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.461 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 6.5 m-85 55.82 89.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.64 83.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 53.1 t -56.95 -55.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -38.08 -34.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -93.9 -54.57 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -47.48 -33.78 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.476 ' CD2' HD11 ' A' ' 45' ' ' LEU . 5.8 mt -73.57 -46.23 48.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -28.9 64.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.7 t -92.26 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 12.3 t -57.21 -46.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.76 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.8 -55.75 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 78' ' ' SER . 30.5 tt0 -47.55 -59.11 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -48.79 -45.01 39.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.59 21.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 75' ' ' GLN . 13.7 t -56.74 -42.72 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -70.85 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 115.11 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -65.49 110.06 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.2 p -131.12 144.29 51.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.27 141.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 0.763 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m 68.4 159.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.29 146.31 4.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.99 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.797 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 p -145.94 164.39 32.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.72 91.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.62 -57.31 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -81.62 -45.97 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.0 -66.52 2.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -37.95 -53.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -56.55 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.41 -53.79 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -49.67 68.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 115.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.27 60.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.69 167.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.973 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 t -87.81 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 23' ' ' ASN . 29.0 m-80 60.99 150.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -25.73 50.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.36 -62.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt -49.28 -53.09 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 27.2 t30 -49.69 -35.95 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -56.26 -44.81 80.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.633 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.39 -30.92 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt 64.79 150.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 155.63 27.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.01 -63.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -44.35 -71.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -40.62 -50.19 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -57.16 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.7 -54.33 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -62.28 -48.46 79.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -53.8 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.525 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 1.4 m-85 -55.21 -44.03 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 t -59.03 -24.45 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 12.5 m -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' CD1' ' HG3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -72.35 -58.75 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 51.9 t0 -40.65 -52.74 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -44.38 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -34.98 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.7 -60.14 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -14.41 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.1 t -91.42 -75.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.1 mp -96.96 -28.72 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.26 -30.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -36.23 -42.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.82 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.501 ' CG2' ' HD2' ' A' ' 50' ' ' PRO . 9.3 p -64.36 141.69 98.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' HD2' ' CG2' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -89.9 -41.06 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ILE . 12.3 m-20 -51.95 -66.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 4.1 mt -38.87 -60.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.499 HD21 ' CG1' ' A' ' 49' ' ' VAL . 43.9 mt -53.73 -53.92 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.3 m -46.72 -59.12 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.8 -45.59 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.08 -46.33 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 34' ' ' LEU . 6.0 mt -56.88 -55.79 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -14.4 60.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 1.1 tpmt? -77.57 -15.89 58.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.524 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.5 m-70 -138.88 28.01 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.12 66.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 55.73 91.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 10.4 t0 -160.33 60.84 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 78.5 t -40.61 -57.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -37.93 -36.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 16.5 tptt -93.97 -51.65 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.524 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -48.08 -30.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 45' ' ' LEU . 3.2 mt -72.18 -53.12 13.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.67 -26.6 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.6 t -91.88 -42.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 12.3 t -63.33 -14.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -92.2 -49.57 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 9.3 pt-20 -64.91 -18.05 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -45.79 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -56.58 -29.45 62.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.84 -27.71 28.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -62.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.69 -66.29 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 18.1 Cg_endo -75.02 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -150.37 103.63 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.43 168.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -119.21 135.33 54.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -113.95 151.46 32.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.48 -93.82 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.26 -57.08 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.01 68.37 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.29 -25.44 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.769 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.55 -48.56 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.5 -57.65 17.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -44.71 -53.34 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.48 -58.83 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -48.37 -53.27 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -49.96 -50.34 47.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.2 mtp180 -71.96 147.62 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 69.85 -62.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 71.23 78.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -88.53 -55.41 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.64 110.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -55.66 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.3 -63.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -65.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.98 -51.41 30.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -47.13 -55.88 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.635 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -42.72 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.12 83.31 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -47.62 151.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -40.31 -35.31 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 30' ' ' ASP . 4.4 mm -67.22 -69.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.408 ' N ' HG21 ' A' ' 29' ' ' ILE . 96.2 m-20 -42.31 -58.43 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -38.86 -60.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.04 -56.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -49.96 -54.02 22.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 1.8 tm? -46.83 -61.6 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CD1' HD21 ' A' ' 38' ' ' LEU . 2.1 m-85 -54.87 -38.06 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -25.6 64.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 31.4 m -94.85 -22.28 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' C ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.77 -59.64 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.42 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 49.9 t0 -44.53 -39.05 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.09 -71.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.51 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.8 -13.76 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.496 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 14.2 ttt180 -76.71 -26.27 54.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -12.67 29.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.88 -74.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.4 mp -97.18 -27.93 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.33 -32.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.5 t0 -38.76 -38.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -54.44 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.492 ' CG1' HD21 ' A' ' 54' ' ' LEU . 9.8 p -67.25 141.39 96.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.16 -33.73 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -58.56 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.0 mt -38.98 -64.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.492 HD21 ' CG1' ' A' ' 49' ' ' VAL . 65.5 mt -46.78 -50.34 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.09 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -43.77 -40.1 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.63 -47.86 82.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.402 HG21 ' CD2' ' A' ' 34' ' ' LEU . 5.4 mt -52.13 -52.03 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -27.53 67.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -58.96 -17.27 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.487 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 5.8 m-70 -140.22 23.59 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.478 ' HA ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 42.54 79.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 46.03 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.0 t70 -153.7 57.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 53.7 t -40.28 -58.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.53 -36.69 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' ASP . 5.8 tmtm? -93.03 -54.25 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 72' ' ' VAL . . . -47.06 -29.96 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' CD2' ' CG ' ' A' ' 41' ' ' MET . 5.8 mt -73.36 -49.01 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.3 t -54.31 -29.43 47.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.1 t -92.2 -47.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 68' ' ' ALA . 9.0 t -55.37 -25.92 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -92.29 -50.13 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 21.9 tt0 -50.46 -30.31 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -84.6 -60.3 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.82 -47.62 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.23 -28.22 0.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -52.92 -50.65 63.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -43.78 -72.01 0.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 68.13 5.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.13 159.14 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 p -56.45 128.35 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -162.65 95.51 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 134.14 9.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.34 -70.46 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t 55.92 88.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.62 78.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.08 -62.13 2.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -42.84 -45.36 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -50.85 -51.01 55.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . -70.67 -58.85 5.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 2.3 m-85 -37.98 -52.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.77 -60.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.68 -53.61 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -51.85 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -57.11 116.58 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.21 -172.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -112.72 84.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 m -90.49 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -101.47 162.38 12.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -50.46 -56.82 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -51.12 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.24 -49.61 75.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -54.47 -34.39 61.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.08 -42.7 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -48.52 -37.14 16.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.5 mt 53.52 174.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -97.15 150.43 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.75 -43.62 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.76 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.35 -51.37 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' TYR . 6.9 mt-30 -46.69 -56.51 6.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -38.8 92.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -67.77 -28.8 67.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' GLN . 3.6 m-85 -86.52 -12.42 48.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -15.7 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 58' ' ' ILE . 26.4 p -94.68 -43.57 8.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.498 ' CD1' ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -54.41 -71.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' LEU . 11.2 t70 -35.11 -57.89 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' NE2' HD13 ' A' ' 69' ' ' LEU . 32.5 t60 -38.85 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.497 ' CG ' ' CD2' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -56.72 -35.6 68.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.547 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.94 -8.24 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' ASP . 12.9 tt0 -87.95 -44.33 11.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 45' ' ' LEU . 9.4 p -94.41 -54.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD11 ' CG1' ' A' ' 72' ' ' VAL . 34.6 mt -78.14 -47.98 16.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.547 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.33 -31.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.9 m-20 -38.51 -54.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.85 -53.3 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 50' ' ' PRO . 83.1 t -59.8 143.22 87.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' HD2' ' CG1' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.37 -56.71 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.7 m-20 -38.27 -68.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.6 mt -39.59 -63.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.461 ' CD2' HG11 ' A' ' 49' ' ' VAL . 47.2 mt -49.6 -49.42 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.498 ' OG1' ' CD1' ' A' ' 38' ' ' LEU . 47.4 m -55.23 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -38.2 -53.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.95 -46.78 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.529 ' CD1' ' SG ' ' A' ' 37' ' ' CYS . 4.7 mt -63.85 -42.94 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.7 mm? -71.29 -13.62 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.487 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 1.4 tpmt? -84.23 -14.27 50.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 9.6 m-70 -133.93 27.02 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.55 67.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.472 ' HA ' ' CG2' ' A' ' 58' ' ' ILE . 59.7 m-85 58.46 97.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -174.31 65.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.505 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 54.8 t -41.7 -58.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -36.86 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 65' ' ' VAL . 3.7 tptp -94.09 -47.28 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.571 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -56.58 -41.05 76.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.497 ' CD2' ' CG ' ' A' ' 41' ' ' MET . 9.0 mt -70.53 -42.78 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -30.19 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.0 t -92.48 -49.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 45' ' ' LEU . 4.4 t -54.01 -41.6 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.07 -57.33 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.03 -52.19 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -46.24 -41.92 13.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.16 -29.49 3.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -59.67 -39.38 84.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.84 -69.01 1.02 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 70.57 5.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.485 1.782 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 p 59.34 168.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -60.11 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.15 -36.53 41.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -73.33 -50.97 19.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.622 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.9 tm? -52.8 -56.99 11.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.97 -43.71 94.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -62.96 -20.66 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 84.6 m -94.46 -60.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD12 HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.79 -60.15 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 m-20 -38.88 -54.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -51.35 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.413 ' HG2' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.02 -21.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.41 -57.67 6.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.4 -18.03 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.24 -74.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.75 HD13 HG11 ' A' ' 72' ' ' VAL . 1.8 mp -88.42 -38.92 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.23 -32.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -39.92 -59.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.27 -39.37 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.72 HG13 ' HD2' ' A' ' 50' ' ' PRO . 67.8 t -68.47 143.87 95.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.72 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.97 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.11 -52.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' ASP . 93.9 m-20 -38.69 -62.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -40.27 -56.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 45' ' ' LEU . 35.4 mt -61.11 -52.18 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.486 ' HA ' HD12 ' A' ' 58' ' ' ILE . 2.5 m -45.37 -54.35 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -53.47 -59.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.59 -48.27 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.822 HG23 ' HA ' ' A' ' 63' ' ' PHE . 6.7 mt -56.38 -51.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.57 -14.1 62.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -74.15 -21.12 59.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.434 ' CE1' HG21 ' A' ' 71' ' ' VAL . 8.9 m-70 -136.68 30.9 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.557 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 40.07 67.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.822 ' HA ' HG23 ' A' ' 58' ' ' ILE . 32.0 m-85 56.99 89.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -158.45 66.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 54.0 t -39.74 -55.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -41.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.7 tmtm? -86.06 -54.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -44.38 -38.65 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -72.5 -56.6 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -29.34 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.9 t -90.33 -46.54 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 45' ' ' LEU . 10.6 t -59.84 -19.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' LEU . 25.3 mt -86.55 -52.06 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.52 -20.03 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.47 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -48.55 -50.15 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.4 tm? -50.38 -56.82 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.462 ' N ' HD13 ' A' ' 34' ' ' LEU . 3.5 m-85 -61.67 -40.3 94.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -20.64 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 65.0 m -94.52 -42.45 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -56.26 -58.25 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -50.18 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -51.43 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -18.15 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.15 -20.92 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -16.85 23.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.01 -72.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD22 ' CG1' ' A' ' 72' ' ' VAL . 2.4 mp -90.69 -36.07 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.81 -30.88 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 m-20 -39.23 -56.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.33 -41.66 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.738 HG13 ' HD2' ' A' ' 50' ' ' PRO . 62.2 t -66.9 144.0 98.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.738 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.1 p-10 -92.05 -53.55 4.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' ASP . 64.2 m-20 -38.97 -65.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -40.08 -52.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 38' ' ' LEU . 76.2 mt -61.28 -58.14 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.906 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.5 m -43.43 -53.09 5.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -43.19 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.09 -42.21 72.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.851 HD12 ' HA ' ' A' ' 55' ' ' THR . 5.9 mt -59.29 -55.81 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -64.26 -14.13 53.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.01 -18.33 61.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.718 ' CE1' HG21 ' A' ' 71' ' ' VAL . 15.8 m-70 -142.45 32.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.27 67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.83 ' HA ' HG23 ' A' ' 58' ' ' ILE . 9.7 m-85 57.0 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -161.09 67.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 55.0 t -41.62 -53.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -38.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.2 tmtp? -87.93 -51.44 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.689 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.33 -39.14 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.91 -45.82 56.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -28.64 67.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.718 HG21 ' CE1' ' A' ' 61' ' ' HIS . 60.6 t -91.58 -45.27 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 68' ' ' ALA . 26.2 t -61.72 -14.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 73' ' ' LEU . 31.4 mt -89.33 -39.93 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -77.32 -21.79 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.77 -46.53 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -68.4 -51.11 47.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.766 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -49.81 -53.61 24.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.504 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.8 m-85 -59.2 -45.93 89.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -21.14 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 72.0 m -94.22 -48.9 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.776 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -52.94 -64.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' LEU . 46.7 t0 -37.73 -56.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -40.49 -72.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.611 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.628 ' CG ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.12 -27.83 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.776 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.63 -22.83 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -13.8 27.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.3 t -91.14 -73.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.769 HD13 ' CG1' ' A' ' 72' ' ' VAL . 1.2 mp -94.61 -33.66 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.38 -30.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' LEU . 5.0 t70 -40.07 -52.39 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.07 -37.63 5.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.38 145.15 87.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.93 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.16 -55.36 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.4 m-20 -39.51 -64.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mt -39.47 -62.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 38' ' ' LEU . 69.6 mt -54.13 -53.02 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.81 ' HA ' HD12 ' A' ' 58' ' ' ILE . 86.2 m -49.25 -59.7 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.69 -48.22 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -50.04 -48.6 52.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.829 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.5 mt -53.66 -55.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -67.65 -14.12 62.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.494 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.39 -19.85 61.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' LYS . 25.2 m-70 -139.46 35.84 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.83 67.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.829 ' HA ' HG23 ' A' ' 58' ' ' ILE . 16.6 m-85 55.91 90.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 15.1 t0 -156.36 65.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG12 HD12 ' A' ' 69' ' ' LEU . 42.9 t -39.36 -55.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.53 -49.49 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -77.73 -58.45 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.18 -33.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 41' ' ' MET . 7.6 mt -73.19 -52.68 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -29.93 9.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.23 -50.8 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.769 ' CG1' HD13 ' A' ' 45' ' ' LEU . 11.9 t -52.48 -40.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD23 HD21 ' A' ' 45' ' ' LEU . 12.1 mt -52.57 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -43.51 -62.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -40.3 -63.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -52.86 -47.08 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -52.47 -59.78 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.3 m-85 -59.5 -34.33 72.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -22.66 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 83.0 m -94.38 -18.81 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -86.1 -58.55 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LEU . 55.7 t0 -39.68 -55.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -52.21 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.56 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.8 -21.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.568 ' HG3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.72 -53.67 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.66 -16.82 4.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.48 -74.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.826 HD13 HG11 ' A' ' 72' ' ' VAL . 1.2 mp -92.2 -36.31 13.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.75 -31.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 -39.71 -56.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.19 -37.28 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG11 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -70.33 143.44 90.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.69 ' HD2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.31 -48.32 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ILE . 2.5 m-20 -43.48 -63.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.69 HD12 ' HD2' ' A' ' 50' ' ' PRO . 11.7 mt -39.42 -57.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.611 HD21 HG11 ' A' ' 49' ' ' VAL . 55.8 mt -57.87 -56.46 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.927 ' O ' HD22 ' A' ' 59' ' ' LEU . 13.0 m -46.98 -55.4 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.76 -43.72 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.59 -43.26 75.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.876 HG23 ' HA ' ' A' ' 63' ' ' PHE . 8.4 mt -58.35 -56.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.69 -14.23 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -77.25 -16.29 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 2.8 m80 -139.19 30.34 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER 39.41 66.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.876 ' HA ' HG23 ' A' ' 58' ' ' ILE . 15.7 m-85 55.78 89.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.29 83.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.595 HG12 HD12 ' A' ' 69' ' ' LEU . 93.1 t -55.75 -54.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -34.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -52.36 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.29 -35.77 12.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 65' ' ' VAL . 4.6 mt -73.32 -51.65 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -53.38 -28.34 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.0 t -92.12 -50.24 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.826 HG11 HD13 ' A' ' 45' ' ' LEU . 14.9 t -53.89 -37.21 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -57.42 7.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.08 -50.24 74.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.15 -65.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -45.69 -50.52 13.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -59.75 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.22 -48.59 24.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -52.64 -24.15 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.814 ' SG ' HG22 ' A' ' 65' ' ' VAL . 4.2 t -93.97 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.719 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -39.02 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' LEU . 25.4 t0 -36.95 -59.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 42' ' ' ARG . 85.1 t60 -52.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.953 ' SD ' HD22 ' A' ' 54' ' ' LEU . 4.9 ttm -42.3 -26.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.719 ' HD2' HD22 ' A' ' 38' ' ' LEU . 1.8 ttt180 -59.7 -53.1 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.7 -16.67 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.451 HG12 ' HG ' ' A' ' 45' ' ' LEU . 77.0 t -92.4 -74.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD13 HG11 ' A' ' 72' ' ' VAL . 1.6 mp -92.15 -35.87 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.08 -32.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -42.17 -53.64 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.46 -52.55 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.405 HG13 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -61.33 141.41 94.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.61 ' HA ' HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -88.66 -53.22 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.2 m-20 -39.22 -60.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 mt -41.74 -56.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.953 HD22 ' SD ' ' A' ' 41' ' ' MET . 35.6 mt -60.56 -55.53 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.962 ' O ' HD22 ' A' ' 59' ' ' LEU . 2.8 m -43.11 -52.47 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.2 mm-40 -51.95 -54.43 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -44.23 -50.64 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.812 HG23 ' HA ' ' A' ' 63' ' ' PHE . 28.8 mt -52.31 -61.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.962 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.26 -14.12 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.49 -14.56 60.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.633 ' NE2' HG21 ' A' ' 71' ' ' VAL . 56.4 m-70 -144.39 32.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.43 66.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.812 ' HA ' HG23 ' A' ' 58' ' ' ILE . 46.4 m-85 57.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -167.86 74.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.814 HG22 ' SG ' ' A' ' 37' ' ' CYS . 63.2 t -40.31 -55.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -41.41 -57.51 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 1.1 mmtp -67.44 -60.46 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -39.63 -43.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD12 HG12 ' A' ' 65' ' ' VAL . 11.9 mt -72.47 -52.62 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.94 -31.62 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.633 HG21 ' NE2' ' A' ' 61' ' ' HIS . 38.2 t -92.14 -49.33 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 68' ' ' ALA . 23.2 t -56.87 -18.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' LEU . 46.6 mt -89.26 -53.46 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.64 -14.08 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.9 -46.87 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -64.22 -59.73 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD22 HD13 ' A' ' 58' ' ' ILE . 2.3 tm? -40.61 -53.45 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.18 -39.15 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 82.5 m -94.87 -15.27 23.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' A' ' 42' ' ' ARG . 1.4 tp -93.21 -59.37 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -46.78 -40.7 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -62.5 -53.56 52.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.603 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -70.08 -13.81 62.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.4 mmm180 -74.32 -51.07 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -15.71 4.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' HG ' ' A' ' 45' ' ' LEU . 97.2 t -91.98 -74.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -94.5 -33.38 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 20.7 m-20 -39.17 -53.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.47 -43.13 3.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.704 HG13 ' HD2' ' A' ' 50' ' ' PRO . 76.8 t -66.45 143.43 98.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.704 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -52.43 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 -64.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -39.57 -63.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 52.2 mt -52.15 -50.87 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.889 ' HA ' HD12 ' A' ' 58' ' ' ILE . 20.0 m -50.34 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' LYS . 5.9 mt-10 -39.07 -52.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -44.86 -50.81 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 55' ' ' THR . 10.6 mt -51.24 -61.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -62.7 -14.17 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.14 -21.69 56.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' NE2' HG21 ' A' ' 71' ' ' VAL . 44.4 m-70 -136.91 34.15 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.32 73.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.873 ' HA ' HG23 ' A' ' 58' ' ' ILE . 11.9 m-85 50.65 88.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 73.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.685 HG12 HD12 ' A' ' 69' ' ' LEU . 75.0 t -45.39 -54.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.75 -48.45 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -78.15 -58.31 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.29 -37.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.685 HD12 HG12 ' A' ' 65' ' ' VAL . 6.5 mt -74.07 -52.94 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -28.04 15.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG21 ' NE2' ' A' ' 61' ' ' HIS . 95.3 t -92.27 -49.22 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 68' ' ' ALA . 10.3 t -55.09 -44.37 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 73' ' ' LEU . 8.2 mt -48.21 -62.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -54.18 -60.45 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.38 -62.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -47.41 -49.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.575 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.8 OUTLIER -54.99 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -45.9 -38.95 8.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 p -54.64 -27.33 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 65' ' ' VAL . 8.7 m -93.32 -52.53 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.78 HD23 ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -44.05 -50.23 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' LEU . 18.8 t70 -39.94 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 38' ' ' LEU . 83.9 t60 -84.95 -76.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.567 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -47.54 -22.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.78 ' NE ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.65 -26.53 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -92.89 -12.9 29.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 t -90.31 -73.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 72' ' ' VAL . 1.2 mp -97.03 -31.97 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -37.17 -30.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.0 -54.39 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.54 -45.56 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 1.6 t -63.41 138.9 97.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -85.28 -54.96 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' ASP . 17.9 m-20 -38.74 -63.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -39.62 -52.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.4 -58.41 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.579 ' HA ' HD12 ' A' ' 58' ' ' ILE . 1.2 m -42.0 -47.53 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 59' ' ' LEU . 1.2 mm-40 -55.01 -62.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.867 HG23 ' HA ' ' A' ' 63' ' ' PHE . 26.4 mt -56.51 -50.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -70.93 -14.01 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.49 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -76.02 -22.08 56.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 1.7 m80 -135.69 31.18 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' CE ' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.92 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.867 ' HA ' HG23 ' A' ' 58' ' ' ILE . 24.5 m-85 56.99 90.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' VAL . 12.9 t0 -156.84 64.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.568 HG23 ' SG ' ' A' ' 37' ' ' CYS . 25.2 t -38.98 -57.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.64 -44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.68 ' HD3' HG23 ' A' ' 71' ' ' VAL . 2.1 tmtt? -83.92 -55.91 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -42.4 -38.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 45' ' ' LEU . 3.9 mt -73.43 -44.98 57.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.43 -27.89 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HD3' ' A' ' 67' ' ' LYS . 88.8 t -92.11 -46.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 45' ' ' LEU . 27.7 t -59.07 -46.81 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.33 -59.61 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -48.38 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.33 -36.89 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -45.43 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.872 HD11 HG23 ' A' ' 55' ' ' THR . 0.3 OUTLIER -57.23 -59.95 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -34.69 15.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.59 -27.64 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.794 ' SG ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -83.29 -33.61 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD11 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.04 -74.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -36.6 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.597 ' O ' HG23 ' A' ' 44' ' ' VAL . 36.2 t60 -81.42 -75.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.533 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -49.61 -53.52 23.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -43.7 -58.1 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 0.4 OUTLIER -50.75 -22.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 40' ' ' HIS . 19.8 t -91.68 -75.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.917 HD13 HG11 ' A' ' 72' ' ' VAL . 1.1 mp -83.81 -41.62 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -47.16 -42.15 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.8 -53.18 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.018 HG21 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.11 157.57 89.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.622 ' HG2' HD13 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.03 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.552 ' CB ' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -93.33 -44.1 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -55.1 -60.08 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 50' ' ' PRO . 1.4 mp -39.84 -37.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.018 HD21 HG21 ' A' ' 49' ' ' VAL . 54.9 mt -77.83 -53.13 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.969 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.8 m -47.36 -44.12 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.89 -46.75 78.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' CB ' HG23 ' A' ' 72' ' ' VAL . . . -52.47 -45.14 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.946 HD12 ' HA ' ' A' ' 55' ' ' THR . 10.2 mt -54.1 -57.37 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.29 -14.47 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.494 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.55 -23.74 61.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.761 ' NE2' HG21 ' A' ' 71' ' ' VAL . 36.0 m-70 -137.01 33.83 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.46 73.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.831 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.3 m-85 49.71 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -160.4 72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.794 HG22 ' SG ' ' A' ' 37' ' ' CYS . 56.7 t -41.73 -56.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.89 -40.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.66 -54.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -44.76 -39.52 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.722 HD23 HD11 ' A' ' 45' ' ' LEU . 3.6 mt -71.14 -60.65 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 t -45.82 -31.78 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.761 HG21 ' NE2' ' A' ' 61' ' ' HIS . 94.4 t -86.72 -51.55 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.917 HG11 HD13 ' A' ' 45' ' ' LEU . 3.8 t -52.26 -47.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.37 -63.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -57.84 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.83 -63.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 ptm85 -55.47 -18.36 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -81.14 -37.81 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.62 -9.09 17.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -94.9 -21.33 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.954 ' SG ' HD13 ' A' ' 58' ' ' ILE . 31.0 p -96.31 -39.72 9.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -61.96 -73.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' LEU . 58.2 t0 -36.49 -41.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 44' ' ' VAL . 14.0 t60 -57.56 -71.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 54' ' ' LEU . 2.1 ttm -58.45 -34.23 70.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.05 -59.04 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -18.04 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 40' ' ' HIS . 69.0 t -91.28 -74.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' ASP . 2.7 mp -88.99 -40.06 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -31.59 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 14.3 m-20 -47.12 -41.51 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.56 -53.32 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.059 HG21 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.51 159.28 85.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -54.75 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.3 m-20 -40.42 -64.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.7 mt -38.19 -58.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.059 HD21 HG21 ' A' ' 49' ' ' VAL . 47.4 mt -56.78 -52.44 65.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -45.73 -60.38 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.2 mt-10 -43.13 -55.47 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -42.29 -47.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.954 HD13 ' SG ' ' A' ' 37' ' ' CYS . 5.3 mt -63.0 -41.81 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 55' ' ' THR . 3.4 mm? -71.05 -13.78 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 2.2 tpmt? -82.81 -14.52 54.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 3.7 m80 -133.68 25.65 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 38.62 65.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.848 ' HA ' HG23 ' A' ' 58' ' ' ILE . 28.0 m-85 60.89 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 8.3 t0 -162.88 64.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 40' ' ' HIS . 53.5 t -40.03 -56.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -38.78 -49.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -78.18 -57.71 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.06 -39.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -73.31 -49.71 26.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -29.55 36.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.19 -48.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 68' ' ' ALA . 7.3 t -53.64 -41.06 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.79 -60.11 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -54.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -59.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.63 -49.87 75.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 55' ' ' THR . 0.5 OUTLIER -49.41 -63.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -50.77 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.67 -24.64 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 35.4 m -94.54 -60.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.082 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -42.12 -61.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' LEU . 5.0 t0 -36.85 -33.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 t60 -69.45 -75.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.403 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -49.49 -20.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.501 ' HA ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -78.93 -43.18 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.98 -25.68 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.727 HG22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.16 -75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.749 HD13 HG11 ' A' ' 72' ' ' VAL . 1.4 mp -75.3 -50.16 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -36.74 -31.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t70 -48.13 -44.95 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -48.39 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.038 HG21 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -73.77 158.52 85.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 -167.74 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.78 -55.59 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ILE . 67.6 m-20 -40.48 -63.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . 11.8 mt -37.73 -51.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.038 HD21 HG21 ' A' ' 49' ' ' VAL . 37.3 mt -65.65 -53.97 34.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.936 ' O ' HD22 ' A' ' 59' ' ' LEU . 58.9 m -44.31 -51.61 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.3 mt-10 -50.71 -48.34 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -49.02 -47.47 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.813 HG23 ' HA ' ' A' ' 63' ' ' PHE . 11.8 mt -55.73 -57.1 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -65.2 -14.27 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -74.63 -17.84 60.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.433 ' NE2' HG21 ' A' ' 71' ' ' VAL . 34.1 m-70 -141.09 31.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.43 67.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.813 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.5 m-85 56.42 94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 18.0 t0 -163.26 64.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.505 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 51.0 t -41.69 -56.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.13 -35.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 32.5 tptt -94.1 -51.16 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.16 -36.88 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.19 -57.18 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -27.17 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG21 ' NE2' ' A' ' 61' ' ' HIS . 93.4 t -90.42 -39.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.749 HG11 HD13 ' A' ' 45' ' ' LEU . 18.1 t -68.99 -14.66 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.81 -34.65 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -83.86 -12.32 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.38 -54.51 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -58.85 -55.84 29.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -42.6 -58.27 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -56.45 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -48.29 -24.48 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' HG23 ' A' ' 65' ' ' VAL . 6.3 m -94.12 -52.79 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.686 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -52.29 -60.0 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -36.71 -60.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.704 ' NE2' HD11 ' A' ' 69' ' ' LEU . 20.4 t60 -39.46 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.543 ' HG2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -52.16 -39.53 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.686 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.47 -10.21 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.66 -48.23 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -53.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.69 ' CD2' HG11 ' A' ' 72' ' ' VAL . 6.2 mp -72.42 -51.9 18.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.87 -35.09 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.76 -56.81 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.11 -52.92 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.718 HG13 ' HD2' ' A' ' 50' ' ' PRO . 79.7 t -60.44 143.3 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.718 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.07 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 1.8 p-10 -92.38 -58.21 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.7 t0 -39.36 -66.56 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 mt -39.9 -46.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' HB2' HD21 ' A' ' 38' ' ' LEU . 74.9 mt -66.31 -54.34 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.873 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.3 m -48.11 -52.44 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -47.45 -53.72 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -46.38 -49.95 17.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 55' ' ' THR . 11.1 mt -52.44 -60.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -63.12 -14.25 46.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.94 -23.28 60.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.6 m-70 -137.53 33.9 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HE2' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.3 68.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.825 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.0 m-85 56.11 92.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 8.7 t0 -159.46 60.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 69' ' ' LEU . 54.9 t -40.16 -59.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 1.2 mt-30 -37.32 -36.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 26.8 tptt -93.4 -53.46 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -46.52 -35.64 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -65.78 -74.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 t -44.53 -34.79 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.22 -40.84 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 68' ' ' ALA . 3.8 t -68.64 -45.6 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.49 -54.77 8.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.9 -48.48 76.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.29 -51.66 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' CYS . 37.9 mtt180 -53.63 -60.54 3.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.511 ' C ' HD13 ' A' ' 34' ' ' LEU . 3.3 tm? -39.85 -56.99 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.5 -44.05 97.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -23.06 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' HG23 ' A' ' 65' ' ' VAL . 8.8 m -94.75 -60.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.866 HD22 ' HG3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -41.16 -65.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' LEU . 6.3 t70 -34.98 -35.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 5.9 t-80 -63.41 -69.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.98 -21.21 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.866 ' HG3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.77 -20.32 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.51 -29.26 16.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.543 ' HB ' HD12 ' A' ' 45' ' ' LEU . 45.2 t -94.4 -50.93 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.777 ' CD2' HG11 ' A' ' 72' ' ' VAL . 2.5 mp -92.72 -54.25 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -37.1 -30.46 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 64.8 m-20 -44.03 -46.14 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.9 -53.38 2.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.104 HG21 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -69.46 160.33 79.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 1.5 p-10 -94.2 -59.12 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -39.59 -64.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 8.4 mt -36.78 -45.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.104 HD21 HG21 ' A' ' 49' ' ' VAL . 43.6 mt -73.96 -54.39 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.709 ' OG1' HD11 ' A' ' 38' ' ' LEU . 91.0 m -43.09 -43.08 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 59' ' ' LEU . 2.0 mt-10 -61.2 -54.33 45.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.77 -45.05 7.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.805 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.1 mt -57.38 -55.27 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -65.81 -14.27 61.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -73.06 -17.6 61.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 4.8 m80 -140.32 32.45 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.548 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.91 63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.805 ' HA ' HG23 ' A' ' 58' ' ' ILE . 28.6 m-85 60.91 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -157.84 61.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.022 HG12 HD12 ' A' ' 69' ' ' LEU . 72.6 t -40.39 -55.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -51.99 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 71' ' ' VAL . 13.0 tptt -76.37 -57.77 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -40.95 -37.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.022 HD12 HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -67.35 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -50.62 -33.0 20.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.55 HG23 ' HG3' ' A' ' 67' ' ' LYS . 54.5 t -77.73 -41.07 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.777 HG11 ' CD2' ' A' ' 45' ' ' LEU . 5.8 t -68.23 -48.32 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.3 mp -44.05 -54.52 5.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.12 -49.88 70.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.1 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -48.12 -45.51 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.873 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -56.34 -67.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.873 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.5 m-85 -53.23 -38.17 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -59.98 -25.56 65.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.8 m -94.81 -24.9 16.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.91 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.66 -56.58 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -37.88 -32.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 50.5 t-80 -67.37 -67.1 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.502 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.18 -13.3 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 7.8 ttt180 -80.64 -35.81 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.74 -24.46 53.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' HD12 ' A' ' 45' ' ' LEU . 69.6 t -94.98 -54.02 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.74 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -95.22 -54.12 3.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -36.26 -31.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 m-20 -39.26 -44.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.47 -53.55 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 1.075 HG21 HD21 ' A' ' 54' ' ' LEU . 1.1 m -70.03 161.38 75.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.94 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.72 -58.16 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ILE . 3.8 t70 -39.7 -65.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.3 mt -35.93 -46.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.075 HD21 HG21 ' A' ' 49' ' ' VAL . 32.9 mt -70.26 -53.55 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.94 ' O ' HD22 ' A' ' 59' ' ' LEU . 21.7 m -45.03 -48.15 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.35 -50.1 68.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.6 -45.91 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.797 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.6 mt -56.54 -58.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.94 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -61.84 -14.69 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -75.21 -18.5 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 4.3 m80 -137.47 30.39 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.9 68.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.797 ' HA ' HG23 ' A' ' 58' ' ' ILE . 5.1 m-85 54.11 92.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' LYS . 16.9 t0 -160.91 60.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.915 HG12 HD12 ' A' ' 69' ' ' LEU . 96.0 t -41.66 -54.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -38.24 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASP . 29.3 tptt -88.17 -51.12 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.681 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -49.37 -34.85 17.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.915 HD12 HG12 ' A' ' 65' ' ' VAL . 3.1 mt -73.56 -34.1 65.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -74.0 -26.61 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -92.31 -48.12 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 68' ' ' ALA . 55.8 t -57.86 -44.6 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 69' ' ' LEU . 15.3 mt -47.6 -57.44 5.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.54 -50.32 74.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' LEU . 2.6 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -37.96 -66.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 21.8 mtt180 -42.44 -40.71 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.481 HD12 HG21 ' A' ' 58' ' ' ILE . 1.3 tt -72.46 -45.85 57.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.06 -36.69 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -63.04 -22.86 67.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LEU . 91.2 m -94.39 -45.9 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -39.1 -71.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t0 -35.11 -63.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 44' ' ' VAL . 39.9 t60 -44.4 -70.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.846 ' SD ' HG23 ' A' ' 65' ' ' VAL . 1.3 ttp -57.24 -16.04 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -71.89 -54.3 10.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.39 -15.55 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' HIS . 12.4 t -92.05 -74.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD13 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -95.49 -32.66 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -35.34 -33.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 13.0 t0 -41.19 -60.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.24 -43.59 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.47 HG13 ' HD2' ' A' ' 50' ' ' PRO . 70.7 t -62.86 137.32 96.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.808 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -92.53 -50.09 5.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.14 -66.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -39.73 -44.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 41' ' ' MET . 33.0 mt -69.35 -47.96 62.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.703 HG22 HD11 ' A' ' 59' ' ' LEU . 92.6 m -50.94 -57.31 8.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HA ' HD12 ' A' ' 59' ' ' LEU . 11.6 mt-10 -51.44 -63.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.43 -44.64 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.81 HG23 ' HA ' ' A' ' 63' ' ' PHE . 11.2 mt -57.3 -52.94 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.703 HD11 HG22 ' A' ' 55' ' ' THR . 1.4 mt -64.79 -13.42 55.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -84.55 -13.72 50.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' LYS . 7.8 m80 -136.91 28.95 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.81 79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.81 ' HA ' HG23 ' A' ' 58' ' ' ILE . 5.8 m-85 40.05 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' LYS . 12.1 t0 -169.08 62.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.846 HG23 ' SD ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -43.43 -36.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -53.9 -39.64 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -92.74 -26.31 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 65' ' ' VAL . . . -75.4 -22.98 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD23 HD11 ' A' ' 45' ' ' LEU . 5.8 mt -75.2 -45.25 41.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.8 m -57.25 -29.25 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.8 t -92.24 -49.53 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 45' ' ' LEU . 21.4 t -54.64 -31.63 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 mt -82.48 -51.26 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -51.76 -43.44 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -38.11 60.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -69.93 -59.46 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.814 HD22 HD13 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -42.91 -53.16 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.14 -41.3 87.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -22.8 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.829 ' SG ' HG22 ' A' ' 65' ' ' VAL . 2.0 t -94.37 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 108.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.702 HD21 ' HA ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -38.31 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -49.08 -50.97 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.456 ' CD2' HG11 ' A' ' 65' ' ' VAL . 11.8 t60 -58.0 -66.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.65 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -59.49 -10.97 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -22.62 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.749 HG22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -96.16 -76.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.749 ' N ' HG22 ' A' ' 44' ' ' VAL . 1.7 mp -78.03 -41.75 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 42' ' ' ARG . . . -36.15 -32.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -40.43 -55.25 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.65 -51.32 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG13 ' HD2' ' A' ' 50' ' ' PRO . 1.6 t -61.18 141.85 93.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.702 ' HA ' HD21 ' A' ' 38' ' ' LEU . 1.4 p30 -88.97 -55.66 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.3 t70 -37.96 -63.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.1 mt -39.71 -59.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.65 HD22 ' SD ' ' A' ' 41' ' ' MET . 51.1 mt -57.11 -53.88 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.928 ' O ' HD22 ' A' ' 59' ' ' LEU . 98.3 m -43.94 -57.32 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.8 mt-10 -42.75 -48.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HB3' ' HE1' ' A' ' 41' ' ' MET . . . -52.05 -48.1 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.887 HG23 ' HA ' ' A' ' 63' ' ' PHE . 20.8 mt -55.28 -51.53 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -70.41 -14.06 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -78.72 -19.19 52.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 1.007 ' NE2' HG21 ' A' ' 71' ' ' VAL . 42.9 m-70 -137.68 31.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.28 66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.887 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.0 m-85 56.68 100.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -168.6 73.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.829 HG22 ' SG ' ' A' ' 37' ' ' CYS . 77.3 t -40.57 -56.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -38.87 -52.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.0 tptt -74.76 -57.46 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.686 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -39.63 -43.12 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.2 mt -72.17 -52.25 17.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -30.82 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 1.007 HG21 ' NE2' ' A' ' 61' ' ' HIS . 15.6 t -89.62 -44.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 68' ' ' ALA . 25.2 t -64.51 -14.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' LEU . 67.2 mt -92.07 -54.57 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.13 -23.32 20.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.664 ' NE2' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.27 -38.71 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -56.47 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.566 HD21 HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -45.02 -63.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.664 ' CE2' ' NE2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -43.38 -57.57 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 p -47.09 -25.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.656 ' SG ' HG23 ' A' ' 65' ' ' VAL . 6.9 m -94.89 -64.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -38.89 -62.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.9 m-20 -36.07 -53.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -44.27 -74.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.791 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.11 -39.32 69.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.53 ' HG3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -66.61 -11.18 52.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' ASP . 2.6 tt0 -81.68 -48.4 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -95.27 -55.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.791 HD13 ' HG2' ' A' ' 41' ' ' MET . 5.3 mp -70.75 -50.97 30.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.18 -29.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' LEU . 30.0 t0 -39.26 -50.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.25 -55.87 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 45' ' ' LEU . 5.5 p -61.0 142.69 92.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 2.9 p-10 -91.35 -39.94 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -52.77 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -40.08 -64.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.704 ' HB2' HD21 ' A' ' 38' ' ' LEU . 48.7 mt -49.54 -49.03 47.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.812 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -53.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -41.75 -45.2 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.52 -47.53 76.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.819 HG23 ' HA ' ' A' ' 63' ' ' PHE . 9.4 mt -54.85 -55.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -64.83 -14.15 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -73.64 -14.67 61.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -144.14 30.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.99 65.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.819 ' HA ' HG23 ' A' ' 58' ' ' ILE . 23.5 m-85 60.83 91.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 67' ' ' LYS . 3.4 t0 -160.7 63.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.931 HG12 HD12 ' A' ' 69' ' ' LEU . 67.6 t -39.39 -54.93 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -81.22 -59.43 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -42.39 -33.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.931 HD12 HG12 ' A' ' 65' ' ' VAL . 9.3 mt -73.0 -58.01 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -47.82 -28.97 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.05 -49.31 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 68' ' ' ALA . 5.2 t -54.16 -45.26 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.83 -53.86 53.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -50.22 74.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.57 -38.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -48.33 41.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -52.55 -55.93 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -58.24 -45.43 87.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -60.63 -21.11 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 63.4 m -94.28 -55.75 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -46.45 -48.29 18.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -43.19 -60.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.411 ' CD2' HD11 ' A' ' 69' ' ' LEU . 71.2 t60 -44.07 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.658 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.8 mtm -53.82 -17.26 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' LEU . 30.4 ttt180 -86.37 -11.55 51.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -92.7 -34.11 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 45' ' ' LEU . 12.4 p -93.64 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -85.12 -50.3 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -30.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m-20 -39.08 -58.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.37 -38.89 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.783 HG13 ' HD2' ' A' ' 50' ' ' PRO . 53.7 t -68.84 144.36 95.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.783 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -165.98 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.48 -49.87 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 5.0 m-20 -39.1 -67.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.5 mt -38.8 -57.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 38' ' ' LEU . 61.4 mt -56.11 -55.52 31.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.983 ' O ' HD22 ' A' ' 59' ' ' LEU . 4.3 m -47.88 -57.55 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LYS . 14.0 mt-10 -47.57 -55.0 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -45.21 -51.06 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.878 HG23 ' HA ' ' A' ' 63' ' ' PHE . 8.7 mt -53.09 -60.07 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.983 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.18 -14.29 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -74.98 -22.19 58.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.3 m-70 -134.68 32.81 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.51 68.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.878 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.5 m-85 55.82 89.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.64 83.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 69' ' ' LEU . 53.1 t -56.95 -55.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -38.08 -34.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -93.9 -54.57 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -47.48 -33.78 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.725 HD12 HG12 ' A' ' 65' ' ' VAL . 5.8 mt -73.57 -46.23 48.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -28.9 64.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.7 t -92.26 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 68' ' ' ALA . 12.3 t -57.21 -46.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.76 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.8 -55.75 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.7 -54.33 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -62.28 -48.46 79.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -53.8 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.83 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.4 m-85 -55.21 -44.03 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 t -59.03 -24.45 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 12.5 m -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -72.35 -58.75 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 51.9 t0 -40.65 -52.74 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 64.2 t60 -44.38 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -34.98 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.7 -60.14 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -14.41 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 40' ' ' HIS . 59.1 t -91.42 -75.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.1 mp -96.96 -28.72 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.26 -30.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -36.23 -42.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.82 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.821 HG11 HD21 ' A' ' 54' ' ' LEU . 9.3 p -64.36 141.69 98.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -89.9 -41.06 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ILE . 12.3 m-20 -51.95 -66.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 4.1 mt -38.87 -60.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 HG11 ' A' ' 49' ' ' VAL . 43.9 mt -53.73 -53.92 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.814 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.3 m -46.72 -59.12 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.8 -45.59 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -52.08 -46.33 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.788 HG23 ' HA ' ' A' ' 63' ' ' PHE . 6.0 mt -56.88 -55.79 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.814 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -65.07 -14.4 60.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 1.1 tpmt? -77.57 -15.89 58.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 3.1 m80 -138.88 28.01 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.12 66.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.788 ' HA ' HG23 ' A' ' 58' ' ' ILE . 8.7 m-85 55.73 91.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 10.4 t0 -160.33 60.84 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 78.5 t -40.61 -57.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -37.93 -36.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 16.5 tptt -93.97 -51.65 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.08 -30.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 45' ' ' LEU . 3.2 mt -72.18 -53.12 13.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -54.67 -26.6 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.6 t -91.88 -42.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 68' ' ' ALA . 12.3 t -63.33 -14.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -92.2 -49.57 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 9.3 pt-20 -64.91 -18.05 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.04 -56.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -49.96 -54.02 22.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.706 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -46.83 -61.6 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CD1' HD23 ' A' ' 38' ' ' LEU . 2.1 m-85 -54.87 -38.06 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -25.6 64.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 31.4 m -94.85 -22.28 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.796 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.77 -59.64 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 49.9 t0 -44.53 -39.05 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.09 -71.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.617 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.8 -13.76 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 14.2 ttt180 -76.71 -26.27 54.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -12.67 29.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.88 -74.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 69' ' ' LEU . 1.4 mp -97.18 -27.93 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA2' HG13 ' A' ' 49' ' ' VAL . . . -36.33 -32.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.5 t0 -38.76 -38.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -54.44 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.938 HG11 HD21 ' A' ' 54' ' ' LEU . 9.8 p -67.25 141.39 96.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.16 -33.73 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -58.56 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.0 mt -38.98 -64.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.938 HD21 HG11 ' A' ' 49' ' ' VAL . 65.5 mt -46.78 -50.34 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.775 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.09 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -43.77 -40.1 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -58.63 -47.86 82.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.652 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.4 mt -52.13 -52.03 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -67.59 -27.53 67.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -58.96 -17.27 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 2.3 m80 -140.22 23.59 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HA ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 42.54 79.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.652 ' HA ' HG23 ' A' ' 58' ' ' ILE . 31.8 m-85 46.03 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.0 t70 -153.7 57.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG12 HD12 ' A' ' 69' ' ' LEU . 53.7 t -40.28 -58.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.53 -36.69 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HD3' HG23 ' A' ' 71' ' ' VAL . 5.8 tmtm? -93.03 -54.25 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -47.06 -29.96 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 41' ' ' MET . 5.8 mt -73.36 -49.01 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.3 t -54.31 -29.43 47.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 ' HD3' ' A' ' 67' ' ' LYS . 49.1 t -92.2 -47.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 68' ' ' ALA . 9.0 t -55.37 -25.92 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.637 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -92.29 -50.13 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 21.9 tt0 -50.46 -30.31 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' TYR . 6.9 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -38.8 92.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.791 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -67.77 -28.8 67.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' GLN . 3.6 m-85 -86.52 -12.42 48.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -15.7 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.908 ' SG ' HD13 ' A' ' 58' ' ' ILE . 26.4 p -94.68 -43.57 8.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.628 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -54.41 -71.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' LEU . 11.2 t70 -35.11 -57.89 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.428 ' CD2' HG11 ' A' ' 65' ' ' VAL . 32.5 t60 -38.85 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.757 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -56.72 -35.6 68.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.546 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.94 -8.24 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' ASP . 12.9 tt0 -87.95 -44.33 11.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 45' ' ' LEU . 9.4 p -94.41 -54.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' N ' HG13 ' A' ' 44' ' ' VAL . 34.6 mt -78.14 -47.98 16.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.33 -31.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.9 m-20 -38.51 -54.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.85 -53.3 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 50' ' ' PRO . 83.1 t -59.8 143.22 87.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.37 -56.71 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.7 m-20 -38.27 -68.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.6 mt -39.59 -63.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HG ' HG12 ' A' ' 49' ' ' VAL . 47.2 mt -49.6 -49.42 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.773 HG23 HD21 ' A' ' 34' ' ' LEU . 47.4 m -55.23 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -38.2 -53.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.95 -46.78 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.908 HD13 ' SG ' ' A' ' 37' ' ' CYS . 4.7 mt -63.85 -42.94 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 59' ' ' LEU . 2.7 mm? -71.29 -13.62 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 1.4 tpmt? -84.23 -14.27 50.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.59 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 4.5 m80 -133.93 27.02 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.55 67.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.878 ' HA ' HG23 ' A' ' 58' ' ' ILE . 59.7 m-85 58.46 97.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -174.31 65.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.789 ' CG1' HD12 ' A' ' 69' ' ' LEU . 54.8 t -41.7 -58.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -36.86 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.7 tptp -94.09 -47.28 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . . . -56.58 -41.05 76.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.789 HD12 ' CG1' ' A' ' 65' ' ' VAL . 9.0 mt -70.53 -42.78 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -30.19 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 67' ' ' LYS . 49.0 t -92.48 -49.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.483 ' CG1' HD13 ' A' ' 45' ' ' LEU . 4.4 t -54.01 -41.6 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.07 -57.33 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.03 -52.19 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m -66.1 144.95 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t 45.43 80.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.94 -93.31 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -126.78 115.18 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -150.56 164.64 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 160.99 21.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.43 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.93 -58.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.25 -67.29 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -39.3 -51.46 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -57.7 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.88 -56.29 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -42.13 -51.74 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 64.58 99.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 57.69 161.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 t -49.47 108.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.46 -57.66 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -127.51 128.69 46.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -56.7 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tp -40.53 -63.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -40.83 -67.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -40.71 -57.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -44.93 -60.39 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.56 -38.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt 60.0 153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -66.12 137.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.43 -47.04 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -51.51 -73.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ARG . 93.9 m-20 -44.2 -53.97 6.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.15 -36.53 41.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.3 mmt180 -73.33 -50.97 19.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.9 tm? -52.8 -56.99 11.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.97 -43.71 94.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -62.96 -20.66 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 84.6 m -94.46 -60.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD12 HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.79 -60.15 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 m-20 -38.88 -54.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -51.35 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.413 ' HG2' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.02 -21.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.41 -57.67 6.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.4 -18.03 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.24 -74.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.75 HD13 HG11 ' A' ' 72' ' ' VAL . 1.8 mp -88.42 -38.92 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.23 -32.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -39.92 -59.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.27 -39.37 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.72 HG13 ' HD2' ' A' ' 50' ' ' PRO . 67.8 t -68.47 143.87 95.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.72 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.97 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.11 -52.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' ASP . 93.9 m-20 -38.69 -62.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -40.27 -56.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 45' ' ' LEU . 35.4 mt -61.11 -52.18 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.486 ' HA ' HD12 ' A' ' 58' ' ' ILE . 2.5 m -45.37 -54.35 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -53.47 -59.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.59 -48.27 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.822 HG23 ' HA ' ' A' ' 63' ' ' PHE . 6.7 mt -56.38 -51.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.57 -14.1 62.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -74.15 -21.12 59.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.434 ' CE1' HG21 ' A' ' 71' ' ' VAL . 8.9 m-70 -136.68 30.9 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.557 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 40.07 67.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.822 ' HA ' HG23 ' A' ' 58' ' ' ILE . 32.0 m-85 56.99 89.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -158.45 66.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 54.0 t -39.74 -55.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -41.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.7 tmtm? -86.06 -54.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -44.38 -38.65 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -72.5 -56.6 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -29.34 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.9 t -90.33 -46.54 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 45' ' ' LEU . 10.6 t -59.84 -19.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' LEU . 25.3 mt -86.55 -52.06 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.52 -20.03 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.49 -44.82 85.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.51 -48.47 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.78 -26.25 7.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -45.86 70.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.51 -70.84 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 t -159.87 156.92 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.8 164.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -72.35 136.68 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -154.8 154.37 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 132.58 3.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.85 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m 71.28 -66.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.77 140.49 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -92.16 -53.07 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -47.59 -47.09 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.36 -65.98 0.77 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -38.05 -55.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.37 -49.86 67.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -43.27 -54.93 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD23 ' CB ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -49.26 -50.78 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.48 90.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.94 108.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.566 ' CB ' HD23 ' A' ' 14' ' ' LEU . 1.5 t -179.43 146.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.8 -65.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.67 99.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -44.63 -43.68 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.11 -61.32 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tt -43.85 -61.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' LEU . 7.7 t-20 -42.85 -51.44 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -41.35 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.34 -39.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 55.3 mt 61.21 116.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 p -44.81 142.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.76 -55.94 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.527 HD13 ' HA ' ' A' ' 29' ' ' ILE . 3.8 mm -48.11 -59.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -53.82 -52.36 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -39.95 -59.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.47 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -48.55 -50.15 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.4 tm? -50.38 -56.82 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.462 ' N ' HD13 ' A' ' 34' ' ' LEU . 3.5 m-85 -61.67 -40.3 94.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -20.64 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 65.0 m -94.52 -42.45 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -56.26 -58.25 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -50.18 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -51.43 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -18.15 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.15 -20.92 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -16.85 23.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.01 -72.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD22 ' CG1' ' A' ' 72' ' ' VAL . 2.4 mp -90.69 -36.07 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.81 -30.88 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 m-20 -39.23 -56.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.33 -41.66 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.738 HG13 ' HD2' ' A' ' 50' ' ' PRO . 62.2 t -66.9 144.0 98.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.738 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.1 p-10 -92.05 -53.55 4.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' ASP . 64.2 m-20 -38.97 -65.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -40.08 -52.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 38' ' ' LEU . 76.2 mt -61.28 -58.14 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.906 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.5 m -43.43 -53.09 5.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -43.19 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.09 -42.21 72.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.851 HD12 ' HA ' ' A' ' 55' ' ' THR . 5.9 mt -59.29 -55.81 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -64.26 -14.13 53.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.01 -18.33 61.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.718 ' CE1' HG21 ' A' ' 71' ' ' VAL . 15.8 m-70 -142.45 32.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.27 67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.83 ' HA ' HG23 ' A' ' 58' ' ' ILE . 9.7 m-85 57.0 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -161.09 67.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 55.0 t -41.62 -53.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -38.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.2 tmtp? -87.93 -51.44 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.689 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.33 -39.14 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.91 -45.82 56.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -28.64 67.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.718 HG21 ' CE1' ' A' ' 61' ' ' HIS . 60.6 t -91.58 -45.27 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 68' ' ' ALA . 26.2 t -61.72 -14.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 73' ' ' LEU . 31.4 mt -89.33 -39.93 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -77.32 -21.79 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -68.61 -29.78 68.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -48.23 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.89 -27.76 5.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -37.29 63.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.49 -69.7 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.62 -61.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -98.33 -60.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.81 -58.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -130.39 165.5 22.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.15 -76.5 0.1 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -149.19 94.95 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -169.54 100.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.951 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 172.94 5.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.23 -58.08 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -92.52 -51.15 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.49 -61.53 4.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -38.79 -52.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.39 -57.1 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -53.12 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -48.7 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 42.54 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -160.0 168.65 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -163.01 78.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.52 -56.95 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -74.77 169.46 17.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -68.18 -56.39 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mt -43.82 -62.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -55.09 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.55 -55.47 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -43.32 -54.15 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.618 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.03 -53.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 26' ' ' LEU . 6.8 mt 62.73 132.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.1 p -47.24 148.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -24.08 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.7 mt -74.85 -67.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -47.98 -41.7 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.18 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.77 -46.53 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -68.4 -51.11 47.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.766 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.0 OUTLIER -49.81 -53.61 24.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.504 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.8 m-85 -59.2 -45.93 89.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -21.14 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 72.0 m -94.22 -48.9 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.776 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -52.94 -64.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' LEU . 46.7 t0 -37.73 -56.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -40.49 -72.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.611 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.628 ' CG ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.12 -27.83 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.776 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.63 -22.83 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -13.8 27.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.3 t -91.14 -73.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.769 HD13 ' CG1' ' A' ' 72' ' ' VAL . 1.2 mp -94.61 -33.66 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.38 -30.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' LEU . 5.0 t70 -40.07 -52.39 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.07 -37.63 5.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.38 145.15 87.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.93 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.16 -55.36 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.4 m-20 -39.51 -64.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mt -39.47 -62.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 38' ' ' LEU . 69.6 mt -54.13 -53.02 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.81 ' HA ' HD12 ' A' ' 58' ' ' ILE . 86.2 m -49.25 -59.7 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.69 -48.22 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -50.04 -48.6 52.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.829 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.5 mt -53.66 -55.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -67.65 -14.12 62.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.39 -19.85 61.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' LYS . 25.2 m-70 -139.46 35.84 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.83 67.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.829 ' HA ' HG23 ' A' ' 58' ' ' ILE . 16.6 m-85 55.91 90.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 15.1 t0 -156.36 65.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG12 HD12 ' A' ' 69' ' ' LEU . 42.9 t -39.36 -55.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.53 -49.49 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -77.73 -58.45 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.18 -33.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 41' ' ' MET . 7.6 mt -73.19 -52.68 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -29.93 9.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.23 -50.8 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.769 ' CG1' HD13 ' A' ' 45' ' ' LEU . 11.9 t -52.48 -40.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD23 HD21 ' A' ' 45' ' ' LEU . 12.1 mt -52.57 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -43.51 -62.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -60.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -46.35 -42.46 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.54 -26.67 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.3 m -54.18 -44.2 71.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.26 -70.09 0.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 126.86 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.2 163.32 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 57.75 -92.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.05 91.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.8 -166.74 22.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -108.32 94.92 5.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -80.69 -57.24 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.55 89.26 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -27.98 63.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 0.747 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -95.53 -48.64 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.44 -62.99 1.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -51.62 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.5 -60.56 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -54.75 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' NE ' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -51.0 -52.23 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' NE ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -168.93 155.09 6.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -58.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -76.76 130.93 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.93 -59.58 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -169.03 97.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 t -90.18 -56.75 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -61.72 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -66.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -42.03 -53.9 3.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -42.99 -56.83 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.63 -45.14 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt 62.52 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -48.49 147.94 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -47.18 -54.23 11.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.92 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.83 -57.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -41.44 -59.97 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -40.3 -63.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -52.86 -47.08 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -52.47 -59.78 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.3 m-85 -59.5 -34.33 72.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -22.66 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 83.0 m -94.38 -18.81 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -86.1 -58.55 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LEU . 55.7 t0 -39.68 -55.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -52.21 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.56 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.8 -21.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.568 ' HG3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.72 -53.67 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.66 -16.82 4.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.48 -74.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.826 HD13 HG11 ' A' ' 72' ' ' VAL . 1.2 mp -92.2 -36.31 13.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.75 -31.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 -39.71 -56.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.19 -37.28 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG11 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -70.33 143.44 90.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.69 ' HD2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.31 -48.32 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ILE . 2.5 m-20 -43.48 -63.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.69 HD12 ' HD2' ' A' ' 50' ' ' PRO . 11.7 mt -39.42 -57.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.611 HD21 HG11 ' A' ' 49' ' ' VAL . 55.8 mt -57.87 -56.46 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.927 ' O ' HD22 ' A' ' 59' ' ' LEU . 13.0 m -46.98 -55.4 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.76 -43.72 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.59 -43.26 75.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.876 HG23 ' HA ' ' A' ' 63' ' ' PHE . 8.4 mt -58.35 -56.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.69 -14.23 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -77.25 -16.29 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.591 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 2.8 m80 -139.19 30.34 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER 39.41 66.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.876 ' HA ' HG23 ' A' ' 58' ' ' ILE . 15.7 m-85 55.78 89.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.29 83.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.595 HG12 HD12 ' A' ' 69' ' ' LEU . 93.1 t -55.75 -54.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -34.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -52.36 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.29 -35.77 12.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 65' ' ' VAL . 4.6 mt -73.32 -51.65 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -53.38 -28.34 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.0 t -92.12 -50.24 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.826 HG11 HD13 ' A' ' 45' ' ' LEU . 14.9 t -53.89 -37.21 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -57.42 7.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.08 -50.24 74.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -46.29 -34.51 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.96 -39.88 75.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -93.5 -39.14 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.78 -68.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.92 5.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.53 109.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.07 154.27 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.37 97.89 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -132.42 110.02 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.12 -155.95 26.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.99 -60.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t 75.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.03 89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.38 -50.27 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.84 -49.41 65.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.82 -65.21 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -37.71 -51.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.11 -59.27 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.99 -53.53 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tp -44.15 -51.82 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 65.46 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.53 83.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 146.82 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -90.89 -59.17 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' OD1' HD13 ' A' ' 22' ' ' LEU . 3.9 m-20 57.68 92.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.93 -59.2 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.64 -55.69 5.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD13 ' OD1' ' A' ' 19' ' ' ASN . 4.0 mp -45.3 -62.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.13 -59.66 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.57 -47.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -43.06 -48.03 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 30' ' ' ASP . 10.7 mt 57.69 108.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -48.46 154.53 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.71 -30.2 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.38 -71.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.677 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.4 m-20 -47.17 -54.28 11.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.03 -59.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.15 -65.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -45.69 -50.52 13.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -59.75 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.22 -48.59 24.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -52.64 -24.15 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.814 ' SG ' HG22 ' A' ' 65' ' ' VAL . 4.2 t -93.97 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.719 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -39.02 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' LEU . 25.4 t0 -36.95 -59.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 42' ' ' ARG . 85.1 t60 -52.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.953 ' SD ' HD22 ' A' ' 54' ' ' LEU . 4.9 ttm -42.3 -26.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.719 ' HD2' HD22 ' A' ' 38' ' ' LEU . 1.8 ttt180 -59.7 -53.1 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.7 -16.67 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG12 ' HG ' ' A' ' 45' ' ' LEU . 77.0 t -92.4 -74.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD13 HG11 ' A' ' 72' ' ' VAL . 1.6 mp -92.15 -35.87 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.08 -32.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -42.17 -53.64 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.46 -52.55 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.405 HG13 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -61.33 141.41 94.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.61 ' HA ' HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -88.66 -53.22 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.2 m-20 -39.22 -60.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 mt -41.74 -56.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.953 HD22 ' SD ' ' A' ' 41' ' ' MET . 35.6 mt -60.56 -55.53 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.962 ' O ' HD22 ' A' ' 59' ' ' LEU . 2.8 m -43.11 -52.47 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.2 mm-40 -51.95 -54.43 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -44.23 -50.64 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.812 HG23 ' HA ' ' A' ' 63' ' ' PHE . 28.8 mt -52.31 -61.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.962 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.26 -14.12 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.49 -14.56 60.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.633 ' NE2' HG21 ' A' ' 71' ' ' VAL . 56.4 m-70 -144.39 32.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.43 66.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.812 ' HA ' HG23 ' A' ' 58' ' ' ILE . 46.4 m-85 57.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -167.86 74.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.814 HG22 ' SG ' ' A' ' 37' ' ' CYS . 63.2 t -40.31 -55.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -41.41 -57.51 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 1.1 mmtp -67.44 -60.46 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -39.63 -43.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD12 HG12 ' A' ' 65' ' ' VAL . 11.9 mt -72.47 -52.62 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.94 -31.62 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.633 HG21 ' NE2' ' A' ' 61' ' ' HIS . 38.2 t -92.14 -49.33 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 68' ' ' ALA . 23.2 t -56.87 -18.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' LEU . 46.6 mt -89.26 -53.46 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.64 -14.08 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -36.2 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -65.87 -52.81 47.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.12 -27.6 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.0 t -51.57 -45.91 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.973 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.59 -71.72 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 72.87 4.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.7 p -142.5 116.64 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.3 p -110.88 127.4 55.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -106.42 154.36 20.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -109.97 -58.26 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.36 -59.7 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p -42.26 160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.956 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 60.25 165.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.24 69.27 0.51 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.14 -24.92 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -50.9 -35.33 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.68 -59.66 4.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -38.26 -60.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -45.23 -60.35 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -60.55 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.43 -46.47 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -47.69 -57.72 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 176.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.26 130.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -51.2 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 m120 60.28 115.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -49.66 -49.37 47.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -44.55 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -51.51 -56.28 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -44.34 -41.72 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 33.0 t60 -42.05 -53.0 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -82.18 -22.95 35.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 ' CB ' ' A' ' 30' ' ' ASP . 5.5 mt 63.6 120.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -54.13 139.26 35.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 -52.03 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.6 mt -44.34 -63.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.426 ' CB ' HD22 ' A' ' 26' ' ' LEU . 65.5 m-20 -51.85 -58.21 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -41.33 -59.76 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.9 -46.87 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -64.22 -59.73 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD22 HD13 ' A' ' 58' ' ' ILE . 2.3 tm? -40.61 -53.45 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.18 -39.15 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 82.5 m -94.87 -15.27 23.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' A' ' 42' ' ' ARG . 1.4 tp -93.21 -59.37 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -46.78 -40.7 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -62.5 -53.56 52.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.603 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -70.08 -13.81 62.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.4 mmm180 -74.32 -51.07 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -15.71 4.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' HG ' ' A' ' 45' ' ' LEU . 97.2 t -91.98 -74.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -94.5 -33.38 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 20.7 m-20 -39.17 -53.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.47 -43.13 3.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.704 HG13 ' HD2' ' A' ' 50' ' ' PRO . 76.8 t -66.45 143.43 98.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.704 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -52.43 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 -64.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -39.57 -63.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 52.2 mt -52.15 -50.87 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.889 ' HA ' HD12 ' A' ' 58' ' ' ILE . 20.0 m -50.34 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' LYS . 5.9 mt-10 -39.07 -52.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -44.86 -50.81 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 55' ' ' THR . 10.6 mt -51.24 -61.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -62.7 -14.17 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.14 -21.69 56.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' NE2' HG21 ' A' ' 71' ' ' VAL . 44.4 m-70 -136.91 34.15 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.32 73.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.873 ' HA ' HG23 ' A' ' 58' ' ' ILE . 11.9 m-85 50.65 88.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 73.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.685 HG12 HD12 ' A' ' 69' ' ' LEU . 75.0 t -45.39 -54.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.75 -48.45 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -78.15 -58.31 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.29 -37.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.685 HD12 HG12 ' A' ' 65' ' ' VAL . 6.5 mt -74.07 -52.94 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -28.04 15.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG21 ' NE2' ' A' ' 61' ' ' HIS . 95.3 t -92.27 -49.22 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 68' ' ' ALA . 10.3 t -55.09 -44.37 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 73' ' ' LEU . 8.2 mt -48.21 -62.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -54.18 -60.45 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -41.43 -48.09 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.42 -54.05 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.82 -27.7 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -45.16 82.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.8 -69.72 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 72.29 4.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.4 p -66.91 128.14 35.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.0 p -105.94 118.3 36.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.97 118.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -58.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 -112.09 0.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.85 150.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 0.785 . . . . 0.0 110.058 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.49 146.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.052 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.22 103.59 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -59.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.56 -51.18 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.498 ' O ' HD13 ' A' ' 14' ' ' LEU . . . -39.02 -58.53 1.88 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -39.08 -56.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.39 -57.35 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.89 -52.34 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 10' ' ' GLY . 11.1 mp -43.42 -44.92 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 60.47 158.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -46.16 -47.21 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 61.16 6.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.55 ' HB3' HD22 ' A' ' 22' ' ' LEU . 8.0 t -88.21 -62.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -161.53 169.37 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -49.35 -42.4 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.31 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 18' ' ' SER . 0.3 OUTLIER -68.3 -60.18 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -44.66 -45.16 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -48.69 -56.02 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -50.52 -24.89 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt 50.63 -171.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 p -108.26 146.35 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -39.47 -57.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -51.18 -59.93 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' GLN . 93.4 m-20 -50.67 -57.08 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -38.95 -57.09 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.38 -62.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -47.41 -49.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.575 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.8 OUTLIER -54.99 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -45.9 -38.95 8.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 p -54.64 -27.33 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 65' ' ' VAL . 8.7 m -93.32 -52.53 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.78 HD23 ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -44.05 -50.23 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' LEU . 18.8 t70 -39.94 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 38' ' ' LEU . 83.9 t60 -84.95 -76.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.567 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -47.54 -22.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.78 ' NE ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.65 -26.53 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -92.89 -12.9 29.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 t -90.31 -73.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 72' ' ' VAL . 1.2 mp -97.03 -31.97 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -37.17 -30.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.0 -54.39 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.54 -45.56 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 1.6 t -63.41 138.9 97.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -85.28 -54.96 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' ASP . 17.9 m-20 -38.74 -63.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -39.62 -52.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.4 -58.41 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.579 ' HA ' HD12 ' A' ' 58' ' ' ILE . 1.2 m -42.0 -47.53 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 59' ' ' LEU . 1.2 mm-40 -55.01 -62.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.867 HG23 ' HA ' ' A' ' 63' ' ' PHE . 26.4 mt -56.51 -50.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -70.93 -14.01 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.49 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -76.02 -22.08 56.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 1.7 m80 -135.69 31.18 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' CE ' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.92 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.867 ' HA ' HG23 ' A' ' 58' ' ' ILE . 24.5 m-85 56.99 90.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' VAL . 12.9 t0 -156.84 64.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.568 HG23 ' SG ' ' A' ' 37' ' ' CYS . 25.2 t -38.98 -57.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.64 -44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.68 ' HD3' HG23 ' A' ' 71' ' ' VAL . 2.1 tmtt? -83.92 -55.91 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -42.4 -38.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 45' ' ' LEU . 3.9 mt -73.43 -44.98 57.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.43 -27.89 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HD3' ' A' ' 67' ' ' LYS . 88.8 t -92.11 -46.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 45' ' ' LEU . 27.7 t -59.07 -46.81 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.33 -59.61 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -48.38 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.38 69.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' OD2' HD23 ' A' ' 45' ' ' LEU . 6.2 t0 -48.24 -40.42 24.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.76 -25.6 49.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 t -55.78 -57.87 10.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 0.732 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.43 -70.5 0.33 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.14 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.88 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.5 m 60.01 82.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.509 1.131 . . . . 0.0 110.931 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -129.92 159.9 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.87 159.23 25.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.53 146.66 0.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.582 1.177 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -171.68 -57.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -113.01 -55.55 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.72 98.15 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -80.64 -56.24 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -39.78 -49.98 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.24 -62.82 5.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -43.2 -39.95 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.44 -55.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -47.28 -25.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.39 -37.66 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -45.9 169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -158.16 108.45 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -53.38 140.08 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.7 p -82.59 -54.41 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -151.9 162.86 40.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -44.27 -47.47 9.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -47.8 -65.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tp -41.04 -57.4 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -49.29 -52.32 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -43.05 -59.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -43.1 -35.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mt 52.32 179.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -104.39 156.17 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.05 -66.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -41.45 -66.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 67.2 m-20 -40.88 -64.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.49 -59.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.33 -36.89 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -71.67 -45.43 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.872 HD11 HG23 ' A' ' 55' ' ' THR . 0.3 OUTLIER -57.23 -59.95 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -34.69 15.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.59 -27.64 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.794 ' SG ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -83.29 -33.61 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD11 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.04 -74.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -36.6 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.597 ' O ' HG23 ' A' ' 44' ' ' VAL . 36.2 t60 -81.42 -75.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.533 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -49.61 -53.52 23.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -43.7 -58.1 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 0.4 OUTLIER -50.75 -22.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 40' ' ' HIS . 19.8 t -91.68 -75.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.917 HD13 HG11 ' A' ' 72' ' ' VAL . 1.1 mp -83.81 -41.62 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -47.16 -42.15 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.8 -53.18 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.018 HG21 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.11 157.57 89.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.622 ' HG2' HD13 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.03 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.552 ' CB ' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -93.33 -44.1 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -55.1 -60.08 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 50' ' ' PRO . 1.4 mp -39.84 -37.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.018 HD21 HG21 ' A' ' 49' ' ' VAL . 54.9 mt -77.83 -53.13 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.969 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.8 m -47.36 -44.12 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.89 -46.75 78.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' CB ' HG23 ' A' ' 72' ' ' VAL . . . -52.47 -45.14 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.946 HD12 ' HA ' ' A' ' 55' ' ' THR . 10.2 mt -54.1 -57.37 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.29 -14.47 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.55 -23.74 61.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.761 ' NE2' HG21 ' A' ' 71' ' ' VAL . 36.0 m-70 -137.01 33.83 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.46 73.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.831 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.3 m-85 49.71 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -160.4 72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.794 HG22 ' SG ' ' A' ' 37' ' ' CYS . 56.7 t -41.73 -56.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.89 -40.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.66 -54.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -44.76 -39.52 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.722 HD23 HD11 ' A' ' 45' ' ' LEU . 3.6 mt -71.14 -60.65 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 t -45.82 -31.78 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.761 HG21 ' NE2' ' A' ' 61' ' ' HIS . 94.4 t -86.72 -51.55 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.917 HG11 HD13 ' A' ' 45' ' ' LEU . 3.8 t -52.26 -47.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.37 -63.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -57.84 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -40.6 -60.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -40.77 -42.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.43 -42.34 14.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.17 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.02 -71.88 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.0 p 174.31 114.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.6 m 66.58 169.54 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 62.96 158.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -76.65 162.63 27.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.66 76.26 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -169.83 119.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.023 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 p -153.37 106.08 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 64.65 1.61 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.87 -59.06 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -53.12 -51.63 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.84 -61.35 1.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 3.6 t80 -43.63 -52.08 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.48 -57.98 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.07 -51.89 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.46 -52.06 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.67 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -174.87 69.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m 40.23 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 6.5 t -48.76 -60.19 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t30 176.66 167.82 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -48.36 -56.55 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.51 -63.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD13 ' CB ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -40.66 -50.91 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.84 -55.72 23.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.27 -39.49 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 59' ' ' LEU . 8.1 mt 60.96 149.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -87.35 144.77 26.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -39.39 -58.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -40.49 -55.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 58.3 m-20 -66.17 -57.01 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -38.7 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -73.83 -63.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 ptm85 -55.47 -18.36 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -81.14 -37.81 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.62 -9.09 17.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -94.9 -21.33 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.954 ' SG ' HD13 ' A' ' 58' ' ' ILE . 31.0 p -96.31 -39.72 9.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -61.96 -73.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' LEU . 58.2 t0 -36.49 -41.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 44' ' ' VAL . 14.0 t60 -57.56 -71.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 54' ' ' LEU . 2.1 ttm -58.45 -34.23 70.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.05 -59.04 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -18.04 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 40' ' ' HIS . 69.0 t -91.28 -74.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' ASP . 2.7 mp -88.99 -40.06 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -31.59 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 14.3 m-20 -47.12 -41.51 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.56 -53.32 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.059 HG21 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.51 159.28 85.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -54.75 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.3 m-20 -40.42 -64.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.7 mt -38.19 -58.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.059 HD21 HG21 ' A' ' 49' ' ' VAL . 47.4 mt -56.78 -52.44 65.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -45.73 -60.38 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.2 mt-10 -43.13 -55.47 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -42.29 -47.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.954 HD13 ' SG ' ' A' ' 37' ' ' CYS . 5.3 mt -63.0 -41.81 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 26' ' ' LEU . 3.4 mm? -71.05 -13.78 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 2.2 tpmt? -82.81 -14.52 54.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 3.7 m80 -133.68 25.65 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 38.62 65.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.848 ' HA ' HG23 ' A' ' 58' ' ' ILE . 28.0 m-85 60.89 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 8.3 t0 -162.88 64.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 40' ' ' HIS . 53.5 t -40.03 -56.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -38.78 -49.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -78.18 -57.71 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.06 -39.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -73.31 -49.71 26.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -29.55 36.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.19 -48.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 68' ' ' ALA . 7.3 t -53.64 -41.06 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.79 -60.11 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -54.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -57.41 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -60.21 -43.53 95.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.12 -27.69 11.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 t -52.22 -46.99 65.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.81 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.65 -71.49 0.52 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.53 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -89.04 106.34 18.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.4 t -112.82 91.04 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -165.17 157.95 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 163.29 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.97 -147.46 20.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 p -149.05 143.93 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.72 153.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.95 62.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.69 -58.13 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 0.799 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -39.33 -51.11 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -64.84 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.12 -53.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -58.94 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.75 -54.81 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD23 ' C ' ' A' ' 14' ' ' LEU . 6.2 tt -45.12 -50.99 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.93 158.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 62.83 137.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 p -123.68 147.16 47.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -57.87 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.3 164.92 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 p -46.62 -51.22 16.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mt -45.61 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.24 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -47.25 -40.85 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -48.7 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.88 -31.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD13 HD22 ' A' ' 34' ' ' LEU . 60.6 mt 50.98 91.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -48.24 162.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -26.01 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.64 -68.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -45.81 -52.2 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -43.88 -57.08 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -59.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.63 -49.87 75.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 55' ' ' THR . 0.5 OUTLIER -49.41 -63.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -50.77 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.67 -24.64 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 35.4 m -94.54 -60.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.082 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -42.12 -61.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' LEU . 5.0 t0 -36.85 -33.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 t60 -69.45 -75.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.403 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -49.49 -20.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.501 ' HA ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -78.93 -43.18 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.98 -25.68 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.727 HG22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.16 -75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.749 HD13 HG11 ' A' ' 72' ' ' VAL . 1.4 mp -75.3 -50.16 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -36.74 -31.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t70 -48.13 -44.95 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -48.39 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.038 HG21 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -73.77 158.52 85.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 -167.74 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.78 -55.59 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ILE . 67.6 m-20 -40.48 -63.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . 11.8 mt -37.73 -51.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.038 HD21 HG21 ' A' ' 49' ' ' VAL . 37.3 mt -65.65 -53.97 34.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.936 ' O ' HD22 ' A' ' 59' ' ' LEU . 58.9 m -44.31 -51.61 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.3 mt-10 -50.71 -48.34 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -49.02 -47.47 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.813 HG23 ' HA ' ' A' ' 63' ' ' PHE . 11.8 mt -55.73 -57.1 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -65.2 -14.27 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -74.63 -17.84 60.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' NE2' HG21 ' A' ' 71' ' ' VAL . 34.1 m-70 -141.09 31.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.43 67.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.813 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.5 m-85 56.42 94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 18.0 t0 -163.26 64.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.505 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 51.0 t -41.69 -56.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.13 -35.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 32.5 tptt -94.1 -51.16 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.16 -36.88 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.19 -57.18 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -27.17 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG21 ' NE2' ' A' ' 61' ' ' HIS . 93.4 t -90.42 -39.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.749 HG11 HD13 ' A' ' 45' ' ' LEU . 18.1 t -68.99 -14.66 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.81 -34.65 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -83.86 -12.32 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -95.0 -26.29 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.25 -50.83 28.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.67 -22.38 5.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 t -58.72 -41.87 87.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.75 -70.55 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.76 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 t 47.21 80.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.04 -58.5 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -81.39 131.53 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -158.5 137.35 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 -165.8 12.7 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.95 158.62 16.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.11 -59.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.7 68.3 1.42 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 9' ' ' TYR . 12.3 pt-20 -67.47 -48.07 68.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -37.89 -54.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -60.85 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' CE1' HD12 ' A' ' 22' ' ' LEU . 13.2 t80 -38.79 -50.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.65 -58.31 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -41.59 -45.57 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.9 mm? -58.98 -52.06 67.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 3.2 ptt-85 44.79 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 39.27 69.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.15 114.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.93 -58.23 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.2 104.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.52 -53.57 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -43.0 -58.94 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.407 HD12 ' CE1' ' A' ' 11' ' ' TYR . 3.4 mm? -44.84 -54.27 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.71 -44.6 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -51.75 -69.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -57.29 -23.96 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.5 mt 63.46 112.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -40.7 146.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -47.95 -46.17 31.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.28 -69.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.55 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -39.16 -58.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.38 -54.51 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -58.85 -55.84 29.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -42.6 -58.27 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -56.45 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -48.29 -24.48 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' HG23 ' A' ' 65' ' ' VAL . 6.3 m -94.12 -52.79 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.686 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -52.29 -60.0 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -36.71 -60.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.704 ' NE2' HD11 ' A' ' 69' ' ' LEU . 20.4 t60 -39.46 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.543 ' HG2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -52.16 -39.53 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.686 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.47 -10.21 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.66 -48.23 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -53.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.69 ' CD2' HG11 ' A' ' 72' ' ' VAL . 6.2 mp -72.42 -51.9 18.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.87 -35.09 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.76 -56.81 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.11 -52.92 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.718 HG13 ' HD2' ' A' ' 50' ' ' PRO . 79.7 t -60.44 143.3 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.718 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.07 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 1.8 p-10 -92.38 -58.21 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.7 t0 -39.36 -66.56 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 mt -39.9 -46.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' HB2' HD21 ' A' ' 38' ' ' LEU . 74.9 mt -66.31 -54.34 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.873 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.3 m -48.11 -52.44 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -47.45 -53.72 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -46.38 -49.95 17.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 55' ' ' THR . 11.1 mt -52.44 -60.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -63.12 -14.25 46.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.94 -23.28 60.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.6 m-70 -137.53 33.9 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HE2' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.3 68.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.825 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.0 m-85 56.11 92.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 8.7 t0 -159.46 60.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 69' ' ' LEU . 54.9 t -40.16 -59.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 1.2 mt-30 -37.32 -36.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 26.8 tptt -93.4 -53.46 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -46.52 -35.64 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -65.78 -74.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 t -44.53 -34.79 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.22 -40.84 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 68' ' ' ALA . 3.8 t -68.64 -45.6 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.49 -54.77 8.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.9 -48.48 76.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -53.21 47.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -61.4 -49.55 76.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.83 -29.08 0.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -59.31 -43.54 92.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -45.31 -70.34 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 p -159.1 -55.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 m -102.12 -57.54 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p 48.53 87.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.58 156.8 16.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.73 -155.19 11.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m 44.0 84.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.13 168.57 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.73 52.5 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -24.17 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.73 -54.61 32.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.83 -63.44 1.03 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.77 -65.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.27 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -45.43 -39.85 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -52.12 57.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.75 127.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.34 90.63 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 t -173.07 102.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.4 p -80.53 -56.78 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -137.07 157.23 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -73.99 -53.5 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.9 -62.97 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -41.07 -64.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -46.26 -56.95 5.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -44.64 -54.81 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -34.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt 60.37 152.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -83.04 155.49 23.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -55.03 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.88 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.46 -49.15 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -54.21 -63.04 1.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.29 -51.66 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' CYS . 37.9 mtt180 -53.63 -60.54 3.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.511 ' C ' HD13 ' A' ' 34' ' ' LEU . 3.3 tm? -39.85 -56.99 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.5 -44.05 97.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -23.06 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' HG23 ' A' ' 65' ' ' VAL . 8.8 m -94.75 -60.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.866 HD22 ' HG3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -41.16 -65.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' LEU . 6.3 t70 -34.98 -35.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' CB ' ' O ' ' A' ' 37' ' ' CYS . 5.9 t-80 -63.41 -69.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.98 -21.21 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.866 ' HG3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.77 -20.32 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.51 -29.26 16.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.543 ' HB ' HD12 ' A' ' 45' ' ' LEU . 45.2 t -94.4 -50.93 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.777 ' CD2' HG11 ' A' ' 72' ' ' VAL . 2.5 mp -92.72 -54.25 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -37.1 -30.46 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 64.8 m-20 -44.03 -46.14 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.9 -53.38 2.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.104 HG21 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -69.46 160.33 79.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 1.5 p-10 -94.2 -59.12 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -39.59 -64.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 8.4 mt -36.78 -45.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.104 HD21 HG21 ' A' ' 49' ' ' VAL . 43.6 mt -73.96 -54.39 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.709 ' OG1' HD11 ' A' ' 38' ' ' LEU . 91.0 m -43.09 -43.08 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 59' ' ' LEU . 2.0 mt-10 -61.2 -54.33 45.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.77 -45.05 7.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.805 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.1 mt -57.38 -55.27 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -65.81 -14.27 61.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -73.06 -17.6 61.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 4.8 m80 -140.32 32.45 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.548 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.91 63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.805 ' HA ' HG23 ' A' ' 58' ' ' ILE . 28.6 m-85 60.91 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -157.84 61.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.022 HG12 HD12 ' A' ' 69' ' ' LEU . 72.6 t -40.39 -55.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -51.99 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 71' ' ' VAL . 13.0 tptt -76.37 -57.77 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -40.95 -37.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.022 HD12 HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -67.35 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -50.62 -33.0 20.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.55 HG23 ' HG3' ' A' ' 67' ' ' LYS . 54.5 t -77.73 -41.07 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.777 HG11 ' CD2' ' A' ' 45' ' ' LEU . 5.8 t -68.23 -48.32 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.3 mp -44.05 -54.52 5.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.12 -49.88 70.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -64.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -48.17 -41.61 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.62 -26.66 0.74 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 m -59.29 -42.34 91.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 0.748 . . . . 0.0 109.969 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.19 -70.82 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.26 9.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.44 123.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.91 167.18 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.8 109.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.03 118.37 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.03 69.31 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -118.84 124.99 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -128.39 109.94 11.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 9' ' ' TYR . . . -111.96 116.35 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.85 -30.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -45.28 -57.73 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.06 -50.94 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -39.35 -49.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 13' ' ' ASP . 7.8 pt-20 -90.92 -34.35 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 18.2 t0 -44.04 -38.08 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.76 -50.72 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.9 162.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.25 147.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.88 122.64 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -84.4 -57.18 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -170.68 165.94 8.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -58.03 9.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 tp -45.57 -63.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.74 -64.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -43.9 -50.79 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -43.49 -50.65 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -40.73 17.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 30' ' ' ASP . 13.0 mt 61.9 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -79.97 160.28 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -49.53 -46.34 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mt -68.34 -60.29 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.771 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -40.87 -58.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.92 -58.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.1 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -48.12 -45.51 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.873 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -56.34 -67.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.873 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.5 m-85 -53.23 -38.17 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -59.98 -25.56 65.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.8 m -94.81 -24.9 16.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.91 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.66 -56.58 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -37.88 -32.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 50.5 t-80 -67.37 -67.1 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.502 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.18 -13.3 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 7.8 ttt180 -80.64 -35.81 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.74 -24.46 53.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' HD12 ' A' ' 45' ' ' LEU . 69.6 t -94.98 -54.02 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.74 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -95.22 -54.12 3.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -36.26 -31.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 m-20 -39.26 -44.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.47 -53.55 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 1.075 HG21 HD21 ' A' ' 54' ' ' LEU . 1.1 m -70.03 161.38 75.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.94 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.72 -58.16 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ILE . 3.8 t70 -39.7 -65.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.3 mt -35.93 -46.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.075 HD21 HG21 ' A' ' 49' ' ' VAL . 32.9 mt -70.26 -53.55 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.94 ' O ' HD22 ' A' ' 59' ' ' LEU . 21.7 m -45.03 -48.15 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.35 -50.1 68.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.6 -45.91 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.797 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.6 mt -56.54 -58.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.94 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -61.84 -14.69 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -75.21 -18.5 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 4.3 m80 -137.47 30.39 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.9 68.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.797 ' HA ' HG23 ' A' ' 58' ' ' ILE . 5.1 m-85 54.11 92.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' LYS . 16.9 t0 -160.91 60.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.915 HG12 HD12 ' A' ' 69' ' ' LEU . 96.0 t -41.66 -54.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -38.24 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASP . 29.3 tptt -88.17 -51.12 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.681 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -49.37 -34.85 17.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.915 HD12 HG12 ' A' ' 65' ' ' VAL . 3.1 mt -73.56 -34.1 65.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -74.0 -26.61 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -92.31 -48.12 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 68' ' ' ALA . 55.8 t -57.86 -44.6 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 69' ' ' LEU . 15.3 mt -47.6 -57.44 5.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.54 -50.32 74.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.7 -59.69 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -26.96 67.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.61 -24.24 1.68 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -65.41 -43.73 89.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.93 -70.19 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 110.2 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 p -93.02 107.35 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -87.16 82.19 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -105.8 107.24 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -133.01 -58.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.66 -66.51 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.503 ' HA ' ' CG ' ' A' ' 9' ' ' TYR . 68.2 m 49.62 97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -159.12 103.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.43 -114.97 5.08 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -40.04 -46.8 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.503 ' CG ' ' HA ' ' A' ' 5' ' ' SER . 6.0 m-85 -56.71 -52.03 66.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.19 -59.13 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.576 1.172 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -39.02 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -59.35 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.67 -55.26 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -52.81 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 133.13 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.75 168.26 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -117.82 123.85 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -63.0 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 174.25 -52.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -63.5 -54.72 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mt -52.03 -64.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.47 -53.68 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.7 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -45.22 -50.63 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -48.67 -54.35 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' A' ' 30' ' ' ASP . 0.8 OUTLIER 64.31 96.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -40.9 152.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.16 -57.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.15 -59.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.648 ' HB3' HD23 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -45.12 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' LEU . 2.6 mt-30 -38.14 -62.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -37.96 -66.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 21.8 mtt180 -42.44 -40.71 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD12 HG21 ' A' ' 58' ' ' ILE . 1.3 tt -72.46 -45.85 57.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.06 -36.69 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -63.04 -22.86 67.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LEU . 91.2 m -94.39 -45.9 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -39.1 -71.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t0 -35.11 -63.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 44' ' ' VAL . 39.9 t60 -44.4 -70.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.846 ' SD ' HG23 ' A' ' 65' ' ' VAL . 1.3 ttp -57.24 -16.04 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -71.89 -54.3 10.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.39 -15.55 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' HIS . 12.4 t -92.05 -74.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD13 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -95.49 -32.66 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -35.34 -33.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 13.0 t0 -41.19 -60.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.24 -43.59 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.47 HG13 ' HD2' ' A' ' 50' ' ' PRO . 70.7 t -62.86 137.32 96.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.808 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -92.53 -50.09 5.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.14 -66.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -39.73 -44.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 41' ' ' MET . 33.0 mt -69.35 -47.96 62.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.703 HG22 HD11 ' A' ' 59' ' ' LEU . 92.6 m -50.94 -57.31 8.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HA ' HD12 ' A' ' 59' ' ' LEU . 11.6 mt-10 -51.44 -63.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.43 -44.64 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.81 HG23 ' HA ' ' A' ' 63' ' ' PHE . 11.2 mt -57.3 -52.94 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.703 HD11 HG22 ' A' ' 55' ' ' THR . 1.4 mt -64.79 -13.42 55.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -84.55 -13.72 50.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' LYS . 7.8 m80 -136.91 28.95 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.81 79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.81 ' HA ' HG23 ' A' ' 58' ' ' ILE . 5.8 m-85 40.05 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' LYS . 12.1 t0 -169.08 62.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.846 HG23 ' SD ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -43.43 -36.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -53.9 -39.64 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -92.74 -26.31 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 65' ' ' VAL . . . -75.4 -22.98 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD23 HD11 ' A' ' 45' ' ' LEU . 5.8 mt -75.2 -45.25 41.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.8 m -57.25 -29.25 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.8 t -92.24 -49.53 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 45' ' ' LEU . 21.4 t -54.64 -31.63 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 mt -82.48 -51.26 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -51.76 -43.44 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.6 -60.64 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.13 -48.63 61.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.92 -29.84 8.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -55.3 -41.89 72.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.82 -71.92 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 70.47 5.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 117.56 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 t -163.07 93.87 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.17 111.52 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.82 -58.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.61 89.77 1.97 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -118.57 124.27 47.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -77.68 -59.09 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.0 -113.15 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' TYR . 7.2 tt0 -63.74 -62.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 0.739 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -36.75 -52.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.66 -67.44 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -39.19 -48.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.07 -55.16 31.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.1 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -42.33 -52.43 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.36 106.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.26 173.33 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 t 69.99 -61.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -40.9 -59.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -41.42 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 -51.26 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.1 mp -40.98 -56.02 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -42.06 -61.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -40.97 -52.33 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.4 -51.08 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -42.24 -45.69 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.63 103.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -61.5 150.44 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -38.91 -46.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.464 ' HA ' HD13 ' A' ' 29' ' ' ILE . 3.7 mm -48.56 -67.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 29' ' ' ILE . 9.7 m-20 -55.63 -55.3 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -43.53 -52.09 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -38.11 60.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -69.93 -59.46 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.814 HD22 HD13 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -42.91 -53.16 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.14 -41.3 87.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -22.8 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.829 ' SG ' HG22 ' A' ' 65' ' ' VAL . 2.0 t -94.37 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 108.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.702 HD21 ' HA ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -38.31 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -49.08 -50.97 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.456 ' CD2' HG11 ' A' ' 65' ' ' VAL . 11.8 t60 -58.0 -66.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.65 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -59.49 -10.97 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -22.62 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.749 HG22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -96.16 -76.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.749 ' N ' HG22 ' A' ' 44' ' ' VAL . 1.7 mp -78.03 -41.75 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 42' ' ' ARG . . . -36.15 -32.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -40.43 -55.25 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.65 -51.32 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG13 ' HD2' ' A' ' 50' ' ' PRO . 1.6 t -61.18 141.85 93.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.702 ' HA ' HD21 ' A' ' 38' ' ' LEU . 1.4 p30 -88.97 -55.66 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.3 t70 -37.96 -63.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.1 mt -39.71 -59.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.65 HD22 ' SD ' ' A' ' 41' ' ' MET . 51.1 mt -57.11 -53.88 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.928 ' O ' HD22 ' A' ' 59' ' ' LEU . 98.3 m -43.94 -57.32 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.8 mt-10 -42.75 -48.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HB3' ' HE1' ' A' ' 41' ' ' MET . . . -52.05 -48.1 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.887 HG23 ' HA ' ' A' ' 63' ' ' PHE . 20.8 mt -55.28 -51.53 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -70.41 -14.06 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -78.72 -19.19 52.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 1.007 ' NE2' HG21 ' A' ' 71' ' ' VAL . 42.9 m-70 -137.68 31.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.28 66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.887 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.0 m-85 56.68 100.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -168.6 73.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.829 HG22 ' SG ' ' A' ' 37' ' ' CYS . 77.3 t -40.57 -56.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -38.87 -52.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.0 tptt -74.76 -57.46 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.686 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -39.63 -43.12 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.2 mt -72.17 -52.25 17.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -30.82 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 1.007 HG21 ' NE2' ' A' ' 61' ' ' HIS . 15.6 t -89.62 -44.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 68' ' ' ALA . 25.2 t -64.51 -14.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' LEU . 67.2 mt -92.07 -54.57 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.13 -23.32 20.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.65 -38.23 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -58.04 -28.31 64.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.72 -13.84 56.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 p -70.84 -48.59 53.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -45.22 -62.99 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 99.64 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -163.3 -64.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.952 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -98.18 143.52 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -58.08 142.91 45.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.037 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -177.78 98.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.84 147.37 4.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.66 151.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.26 141.09 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.17 -109.76 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -28.14 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -59.76 -47.36 86.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.3 3.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -44.89 -52.92 8.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.82 -58.38 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -41.97 -55.8 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -47.77 -48.8 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.21 91.6 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.6 65.53 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 p 176.1 61.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.4 m -91.47 -58.57 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 179.94 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -41.72 -56.06 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.39 -64.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -47.74 -55.21 10.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -49.82 -56.2 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -40.34 -56.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.54 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -44.14 4.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 30' ' ' ASP . 5.2 mt 50.29 -177.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -89.91 163.61 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.82 -40.84 89.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 29' ' ' ILE . 4.0 mm -76.04 -56.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HB3' HD22 ' A' ' 26' ' ' LEU . 5.8 m-20 -41.15 -47.56 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.664 ' NE2' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.2 -61.98 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.27 -38.71 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -56.47 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.566 HD21 HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -45.02 -63.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.664 ' CE2' ' NE2' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -43.38 -57.57 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 p -47.09 -25.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.656 ' SG ' HG23 ' A' ' 65' ' ' VAL . 6.9 m -94.89 -64.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -38.89 -62.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.9 m-20 -36.07 -53.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -44.27 -74.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.791 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.11 -39.32 69.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.53 ' HG3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -66.61 -11.18 52.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' ASP . 2.6 tt0 -81.68 -48.4 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -95.27 -55.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.791 HD13 ' HG2' ' A' ' 41' ' ' MET . 5.3 mp -70.75 -50.97 30.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.18 -29.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' LEU . 30.0 t0 -39.26 -50.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.25 -55.87 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 45' ' ' LEU . 5.5 p -61.0 142.69 92.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 2.9 p-10 -91.35 -39.94 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -52.77 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -40.08 -64.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.704 ' HB2' HD21 ' A' ' 38' ' ' LEU . 48.7 mt -49.54 -49.03 47.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.812 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -53.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -41.75 -45.2 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.52 -47.53 76.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.819 HG23 ' HA ' ' A' ' 63' ' ' PHE . 9.4 mt -54.85 -55.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -64.83 -14.15 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -73.64 -14.67 61.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -144.14 30.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.99 65.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.819 ' HA ' HG23 ' A' ' 58' ' ' ILE . 23.5 m-85 60.83 91.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 67' ' ' LYS . 3.4 t0 -160.7 63.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.931 HG12 HD12 ' A' ' 69' ' ' LEU . 67.6 t -39.39 -54.93 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -81.22 -59.43 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -42.39 -33.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.931 HD12 HG12 ' A' ' 65' ' ' VAL . 9.3 mt -73.0 -58.01 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -47.82 -28.97 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.05 -49.31 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 68' ' ' ALA . 5.2 t -54.16 -45.26 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.83 -53.86 53.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -50.22 74.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -53.74 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.8 -33.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.63 -24.3 1.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -43.51 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -45.41 -70.26 0.65 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 129.89 12.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -46.08 64.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.81 121.29 35.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -92.94 123.15 35.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.48 155.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 163.84 23.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -157.22 138.89 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.37 -61.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.86 84.26 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.28 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.22 -42.9 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.32 -59.85 7.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -42.55 -50.28 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.16 -60.51 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.74 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -50.51 52.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.89 176.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.97 139.37 0.68 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.73 154.87 5.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.4 p -52.36 -21.76 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.56 -172.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -21.42 18.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -47.68 62.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -43.93 -63.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -40.76 -57.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -40.04 -45.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -51.21 -51.46 53.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 30' ' ' ASP . 4.0 mt 52.4 177.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -89.09 161.64 16.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.28 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -53.44 -56.46 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -42.82 -60.12 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -42.81 -58.48 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.57 -38.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -48.33 41.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -52.55 -55.93 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -58.24 -45.43 87.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -60.63 -21.11 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 63.4 m -94.28 -55.75 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -46.45 -48.29 18.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -43.19 -60.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.411 ' CD2' HD11 ' A' ' 69' ' ' LEU . 71.2 t60 -44.07 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.658 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.8 mtm -53.82 -17.26 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' LEU . 30.4 ttt180 -86.37 -11.55 51.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -92.7 -34.11 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 45' ' ' LEU . 12.4 p -93.64 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -85.12 -50.3 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -30.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m-20 -39.08 -58.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.37 -38.89 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.783 HG13 ' HD2' ' A' ' 50' ' ' PRO . 53.7 t -68.84 144.36 95.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.783 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -165.98 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.48 -49.87 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 5.0 m-20 -39.1 -67.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.5 mt -38.8 -57.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 38' ' ' LEU . 61.4 mt -56.11 -55.52 31.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.983 ' O ' HD22 ' A' ' 59' ' ' LEU . 4.3 m -47.88 -57.55 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LYS . 14.0 mt-10 -47.57 -55.0 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -45.21 -51.06 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.878 HG23 ' HA ' ' A' ' 63' ' ' PHE . 8.7 mt -53.09 -60.07 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.983 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.18 -14.29 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -74.98 -22.19 58.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.3 m-70 -134.68 32.81 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.51 68.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.878 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.5 m-85 55.82 89.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.64 83.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 69' ' ' LEU . 53.1 t -56.95 -55.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -38.08 -34.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -93.9 -54.57 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -47.48 -33.78 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.725 HD12 HG12 ' A' ' 65' ' ' VAL . 5.8 mt -73.57 -46.23 48.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -28.9 64.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.7 t -92.26 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 68' ' ' ALA . 12.3 t -57.21 -46.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.76 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.8 -55.75 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 78' ' ' SER . 30.5 tt0 -47.55 -59.11 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -48.79 -45.01 39.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.59 21.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 75' ' ' GLN . 13.7 t -56.74 -42.72 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -70.85 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 115.11 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -65.49 110.06 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.2 p -131.12 144.29 51.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.27 141.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 0.763 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m 68.4 159.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.29 146.31 4.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.99 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.797 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 p -145.94 164.39 32.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.72 91.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.62 -57.31 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -81.62 -45.97 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.0 -66.52 2.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -37.95 -53.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -56.55 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.41 -53.79 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -49.67 68.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 115.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.27 60.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.69 167.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.973 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 t -87.81 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 23' ' ' ASN . 8.5 m120 60.99 150.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -25.73 50.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.36 -62.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt -49.28 -53.09 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 27.2 t30 -49.69 -35.95 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -56.26 -44.81 80.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.633 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.39 -30.92 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt 64.79 150.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 155.63 27.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.01 -63.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -44.35 -71.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -40.62 -50.19 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -57.16 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.7 -54.33 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -62.28 -48.46 79.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -53.8 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.83 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.4 m-85 -55.21 -44.03 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 t -59.03 -24.45 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 12.5 m -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -72.35 -58.75 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 51.9 t0 -40.65 -52.74 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 64.2 t60 -44.38 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -34.98 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.7 -60.14 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -14.41 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 40' ' ' HIS . 59.1 t -91.42 -75.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.1 mp -96.96 -28.72 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.26 -30.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -36.23 -42.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.82 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.821 HG11 HD21 ' A' ' 54' ' ' LEU . 9.3 p -64.36 141.69 98.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -89.9 -41.06 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ILE . 12.3 m-20 -51.95 -66.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 4.1 mt -38.87 -60.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 HG11 ' A' ' 49' ' ' VAL . 43.9 mt -53.73 -53.92 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.814 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.3 m -46.72 -59.12 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.8 -45.59 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -52.08 -46.33 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.788 HG23 ' HA ' ' A' ' 63' ' ' PHE . 6.0 mt -56.88 -55.79 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.814 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -65.07 -14.4 60.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 1.1 tpmt? -77.57 -15.89 58.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 3.1 m80 -138.88 28.01 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.12 66.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.788 ' HA ' HG23 ' A' ' 58' ' ' ILE . 8.7 m-85 55.73 91.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 10.4 t0 -160.33 60.84 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 78.5 t -40.61 -57.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -37.93 -36.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 16.5 tptt -93.97 -51.65 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.08 -30.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 45' ' ' LEU . 3.2 mt -72.18 -53.12 13.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -54.67 -26.6 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.6 t -91.88 -42.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 68' ' ' ALA . 12.3 t -63.33 -14.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -92.2 -49.57 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 9.3 pt-20 -64.91 -18.05 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -45.79 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -56.58 -29.45 62.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.84 -27.71 28.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -62.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.69 -66.29 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 18.1 Cg_endo -75.02 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -150.37 103.63 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.43 168.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -119.21 135.33 54.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -113.95 151.46 32.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.48 -93.82 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.26 -57.08 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.01 68.37 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.29 -25.44 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.769 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.55 -48.56 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.5 -57.65 17.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -44.71 -53.34 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.48 -58.83 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -48.37 -53.27 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -49.96 -50.34 47.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.2 mtp180 -71.96 147.62 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 69.85 -62.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 71.23 78.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -88.53 -55.41 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.64 110.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -55.66 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.3 -63.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -65.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.98 -51.41 30.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -47.13 -55.88 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.635 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -42.72 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.12 83.31 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -47.62 151.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -40.31 -35.31 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.508 ' HA ' HD13 ' A' ' 29' ' ' ILE . 4.4 mm -67.22 -69.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.439 ' N ' HG22 ' A' ' 29' ' ' ILE . 96.2 m-20 -42.31 -58.43 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -38.86 -60.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.04 -56.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -49.96 -54.02 22.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.706 ' C ' HD13 ' A' ' 34' ' ' LEU . 1.8 tm? -46.83 -61.6 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CD1' HD23 ' A' ' 38' ' ' LEU . 2.1 m-85 -54.87 -38.06 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -25.6 64.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 31.4 m -94.85 -22.28 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.796 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.77 -59.64 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 49.9 t0 -44.53 -39.05 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.09 -71.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.617 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.8 -13.76 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 14.2 ttt180 -76.71 -26.27 54.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -12.67 29.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.88 -74.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 69' ' ' LEU . 1.4 mp -97.18 -27.93 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA2' HG13 ' A' ' 49' ' ' VAL . . . -36.33 -32.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.5 t0 -38.76 -38.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -54.44 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.938 HG11 HD21 ' A' ' 54' ' ' LEU . 9.8 p -67.25 141.39 96.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.16 -33.73 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -58.56 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.0 mt -38.98 -64.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.938 HD21 HG11 ' A' ' 49' ' ' VAL . 65.5 mt -46.78 -50.34 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.775 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.09 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -43.77 -40.1 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -58.63 -47.86 82.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.652 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.4 mt -52.13 -52.03 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -67.59 -27.53 67.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -58.96 -17.27 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.44 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 2.3 m80 -140.22 23.59 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.48 ' HA ' ' CE ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 42.54 79.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.652 ' HA ' HG23 ' A' ' 58' ' ' ILE . 31.8 m-85 46.03 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.0 t70 -153.7 57.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG12 HD12 ' A' ' 69' ' ' LEU . 53.7 t -40.28 -58.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.53 -36.69 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HD3' HG23 ' A' ' 71' ' ' VAL . 5.8 tmtm? -93.03 -54.25 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -47.06 -29.96 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 41' ' ' MET . 5.8 mt -73.36 -49.01 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.3 t -54.31 -29.43 47.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 ' HD3' ' A' ' 67' ' ' LYS . 49.1 t -92.2 -47.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 68' ' ' ALA . 9.0 t -55.37 -25.92 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.637 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -92.29 -50.13 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 21.9 tt0 -50.46 -30.31 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -84.6 -60.3 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.82 -47.62 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.23 -28.22 0.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -52.92 -50.65 63.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -43.78 -72.01 0.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 68.13 5.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.13 159.14 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 p -56.45 128.35 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -162.65 95.51 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 134.14 9.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.34 -70.46 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t 55.92 88.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.62 78.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.08 -62.13 2.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -42.84 -45.36 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -50.85 -51.01 55.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . -70.67 -58.85 5.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 2.3 m-85 -37.98 -52.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.77 -60.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.68 -53.61 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -51.85 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -57.11 116.58 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.21 -172.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -112.72 84.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 m -90.49 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -101.47 162.38 12.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -50.46 -56.82 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -51.12 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.24 -49.61 75.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -54.47 -34.39 61.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.08 -42.7 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -48.52 -37.14 16.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.5 mt 53.52 174.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -97.15 150.43 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.75 -43.62 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.76 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.35 -51.37 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' TYR . 6.9 mt-30 -46.69 -56.51 6.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -38.8 92.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.791 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -67.77 -28.8 67.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' GLN . 3.6 m-85 -86.52 -12.42 48.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -15.7 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.908 ' SG ' HD13 ' A' ' 58' ' ' ILE . 26.4 p -94.68 -43.57 8.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.628 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -54.41 -71.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' LEU . 11.2 t70 -35.11 -57.89 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.428 ' CD2' HG11 ' A' ' 65' ' ' VAL . 32.5 t60 -38.85 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.757 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -56.72 -35.6 68.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.546 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.94 -8.24 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' ASP . 12.9 tt0 -87.95 -44.33 11.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 45' ' ' LEU . 9.4 p -94.41 -54.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' N ' HG13 ' A' ' 44' ' ' VAL . 34.6 mt -78.14 -47.98 16.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.33 -31.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.9 m-20 -38.51 -54.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.85 -53.3 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 50' ' ' PRO . 83.1 t -59.8 143.22 87.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.37 -56.71 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.7 m-20 -38.27 -68.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.6 mt -39.59 -63.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HG ' HG12 ' A' ' 49' ' ' VAL . 47.2 mt -49.6 -49.42 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.773 HG23 HD21 ' A' ' 34' ' ' LEU . 47.4 m -55.23 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -38.2 -53.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.95 -46.78 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.908 HD13 ' SG ' ' A' ' 37' ' ' CYS . 4.7 mt -63.85 -42.94 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.514 ' N ' HD22 ' A' ' 59' ' ' LEU . 2.7 mm? -71.29 -13.62 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' CE ' ' HA ' ' A' ' 60' ' ' LYS . 1.4 tpmt? -84.23 -14.27 50.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.59 ' CE1' ' HA ' ' A' ' 68' ' ' ALA . 4.5 m80 -133.93 27.02 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.55 67.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.878 ' HA ' HG23 ' A' ' 58' ' ' ILE . 59.7 m-85 58.46 97.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -174.31 65.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.789 ' CG1' HD12 ' A' ' 69' ' ' LEU . 54.8 t -41.7 -58.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -36.86 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.7 tptp -94.09 -47.28 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.59 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . . . -56.58 -41.05 76.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.789 HD12 ' CG1' ' A' ' 65' ' ' VAL . 9.0 mt -70.53 -42.78 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -30.19 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 67' ' ' LYS . 49.0 t -92.48 -49.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.483 ' CG1' HD13 ' A' ' 45' ' ' LEU . 4.4 t -54.01 -41.6 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.07 -57.33 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.03 -52.19 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -46.24 -41.92 13.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.16 -29.49 3.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -59.67 -39.38 84.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.84 -69.01 1.02 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 70.57 5.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.485 1.782 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 p 59.34 168.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -60.11 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.15 -36.53 41.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mmt180 -73.33 -50.97 19.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.9 tm? -52.8 -56.99 11.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.97 -43.71 94.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -62.96 -20.66 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 84.6 m -94.46 -60.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD12 HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.79 -60.15 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 m-20 -38.88 -54.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -51.35 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.413 ' HG2' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.02 -21.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.41 -57.67 6.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.4 -18.03 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.24 -74.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.75 HD13 HG11 ' A' ' 72' ' ' VAL . 1.8 mp -88.42 -38.92 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.23 -32.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -39.92 -59.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.27 -39.37 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.72 HG13 ' HD2' ' A' ' 50' ' ' PRO . 67.8 t -68.47 143.87 95.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.72 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.97 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.11 -52.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' ASP . 93.9 m-20 -38.69 -62.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -40.27 -56.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 45' ' ' LEU . 35.4 mt -61.11 -52.18 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.486 ' HA ' HD12 ' A' ' 58' ' ' ILE . 2.5 m -45.37 -54.35 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -53.47 -59.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.59 -48.27 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.822 HG23 ' HA ' ' A' ' 63' ' ' PHE . 6.7 mt -56.38 -51.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.57 -14.1 62.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -74.15 -21.12 59.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.434 ' CE1' HG21 ' A' ' 71' ' ' VAL . 8.9 m-70 -136.68 30.9 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.557 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 40.07 67.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.822 ' HA ' HG23 ' A' ' 58' ' ' ILE . 32.0 m-85 56.99 89.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -158.45 66.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 54.0 t -39.74 -55.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -41.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.7 tmtm? -86.06 -54.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -44.38 -38.65 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -72.5 -56.6 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -29.34 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.9 t -90.33 -46.54 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 45' ' ' LEU . 10.6 t -59.84 -19.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' LEU . 25.3 mt -86.55 -52.06 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.52 -20.03 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.47 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -48.55 -50.15 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.4 tm? -50.38 -56.82 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.462 ' N ' HD13 ' A' ' 34' ' ' LEU . 3.5 m-85 -61.67 -40.3 94.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -20.64 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 65.0 m -94.52 -42.45 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -56.26 -58.25 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -50.18 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -51.43 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -18.15 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.15 -20.92 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -16.85 23.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.01 -72.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD22 ' CG1' ' A' ' 72' ' ' VAL . 2.4 mp -90.69 -36.07 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.81 -30.88 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 m-20 -39.23 -56.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.33 -41.66 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.738 HG13 ' HD2' ' A' ' 50' ' ' PRO . 62.2 t -66.9 144.0 98.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.738 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.1 p-10 -92.05 -53.55 4.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' ASP . 64.2 m-20 -38.97 -65.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -40.08 -52.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 38' ' ' LEU . 76.2 mt -61.28 -58.14 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.906 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.5 m -43.43 -53.09 5.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -43.19 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.09 -42.21 72.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.851 HD12 ' HA ' ' A' ' 55' ' ' THR . 5.9 mt -59.29 -55.81 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -64.26 -14.13 53.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.01 -18.33 61.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.718 ' CE1' HG21 ' A' ' 71' ' ' VAL . 15.8 m-70 -142.45 32.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.27 67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.83 ' HA ' HG23 ' A' ' 58' ' ' ILE . 9.7 m-85 57.0 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -161.09 67.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 55.0 t -41.62 -53.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -38.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.2 tmtp? -87.93 -51.44 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.689 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.33 -39.14 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.91 -45.82 56.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -28.64 67.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.718 HG21 ' CE1' ' A' ' 61' ' ' HIS . 60.6 t -91.58 -45.27 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 68' ' ' ALA . 26.2 t -61.72 -14.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 73' ' ' LEU . 31.4 mt -89.33 -39.93 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -77.32 -21.79 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.77 -46.53 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -68.4 -51.11 47.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -49.81 -53.61 24.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.504 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.8 m-85 -59.2 -45.93 89.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -21.14 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 72.0 m -94.22 -48.9 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.776 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -52.94 -64.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' LEU . 46.7 t0 -37.73 -56.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -40.49 -72.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.611 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.628 ' CG ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.12 -27.83 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.776 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.63 -22.83 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -13.8 27.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.3 t -91.14 -73.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.769 HD13 ' CG1' ' A' ' 72' ' ' VAL . 1.2 mp -94.61 -33.66 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.38 -30.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' LEU . 5.0 t70 -40.07 -52.39 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.07 -37.63 5.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.38 145.15 87.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.93 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.16 -55.36 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.4 m-20 -39.51 -64.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mt -39.47 -62.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 38' ' ' LEU . 69.6 mt -54.13 -53.02 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.81 ' HA ' HD12 ' A' ' 58' ' ' ILE . 86.2 m -49.25 -59.7 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.69 -48.22 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -50.04 -48.6 52.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.829 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.5 mt -53.66 -55.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -67.65 -14.12 62.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.494 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.39 -19.85 61.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' LYS . 25.2 m-70 -139.46 35.84 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.83 67.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.829 ' HA ' HG23 ' A' ' 58' ' ' ILE . 16.6 m-85 55.91 90.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 15.1 t0 -156.36 65.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG12 HD12 ' A' ' 69' ' ' LEU . 42.9 t -39.36 -55.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.53 -49.49 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -77.73 -58.45 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.18 -33.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 41' ' ' MET . 7.6 mt -73.19 -52.68 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -29.93 9.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.23 -50.8 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.769 ' CG1' HD13 ' A' ' 45' ' ' LEU . 11.9 t -52.48 -40.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 HD23 HD21 ' A' ' 45' ' ' LEU . 12.1 mt -52.57 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -43.51 -62.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -40.3 -63.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -52.86 -47.08 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -52.47 -59.78 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.3 m-85 -59.5 -34.33 72.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -22.66 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 83.0 m -94.38 -18.81 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -86.1 -58.55 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LEU . 55.7 t0 -39.68 -55.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -52.21 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.56 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.8 -21.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.568 ' HG3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.72 -53.67 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.66 -16.82 4.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.48 -74.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.826 HD13 HG11 ' A' ' 72' ' ' VAL . 1.2 mp -92.2 -36.31 13.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.75 -31.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 -39.71 -56.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.19 -37.28 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG11 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -70.33 143.44 90.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.69 ' HD2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.31 -48.32 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ILE . 2.5 m-20 -43.48 -63.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.69 HD12 ' HD2' ' A' ' 50' ' ' PRO . 11.7 mt -39.42 -57.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.611 HD21 HG11 ' A' ' 49' ' ' VAL . 55.8 mt -57.87 -56.46 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.927 ' O ' HD22 ' A' ' 59' ' ' LEU . 13.0 m -46.98 -55.4 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.76 -43.72 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.59 -43.26 75.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.876 HG23 ' HA ' ' A' ' 63' ' ' PHE . 8.4 mt -58.35 -56.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.69 -14.23 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -77.25 -16.29 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.1 m-70 -139.19 30.34 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER 39.41 66.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.876 ' HA ' HG23 ' A' ' 58' ' ' ILE . 15.7 m-85 55.78 89.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.29 83.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.595 HG12 HD12 ' A' ' 69' ' ' LEU . 93.1 t -55.75 -54.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -34.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -52.36 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.29 -35.77 12.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 65' ' ' VAL . 4.6 mt -73.32 -51.65 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -53.38 -28.34 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.0 t -92.12 -50.24 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.826 HG11 HD13 ' A' ' 45' ' ' LEU . 14.9 t -53.89 -37.21 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -57.42 7.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.08 -50.24 74.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.15 -65.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -45.69 -50.52 13.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -59.75 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.22 -48.59 24.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -52.64 -24.15 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.814 ' SG ' HG22 ' A' ' 65' ' ' VAL . 4.2 t -93.97 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.719 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -39.02 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' LEU . 25.4 t0 -36.95 -59.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 42' ' ' ARG . 85.1 t60 -52.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.953 ' SD ' HD22 ' A' ' 54' ' ' LEU . 4.9 ttm -42.3 -26.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.719 ' HD2' HD22 ' A' ' 38' ' ' LEU . 1.8 ttt180 -59.7 -53.1 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.7 -16.67 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.451 HG12 ' HG ' ' A' ' 45' ' ' LEU . 77.0 t -92.4 -74.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 HD13 HG11 ' A' ' 72' ' ' VAL . 1.6 mp -92.15 -35.87 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.08 -32.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -42.17 -53.64 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.46 -52.55 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.405 HG13 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -61.33 141.41 94.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.61 ' HA ' HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -88.66 -53.22 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.2 m-20 -39.22 -60.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 mt -41.74 -56.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.953 HD22 ' SD ' ' A' ' 41' ' ' MET . 35.6 mt -60.56 -55.53 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.962 ' O ' HD22 ' A' ' 59' ' ' LEU . 2.8 m -43.11 -52.47 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.2 mm-40 -51.95 -54.43 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -44.23 -50.64 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.812 HG23 ' HA ' ' A' ' 63' ' ' PHE . 28.8 mt -52.31 -61.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.962 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.26 -14.12 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.49 -14.56 60.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.633 ' NE2' HG21 ' A' ' 71' ' ' VAL . 56.4 m-70 -144.39 32.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.43 66.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.812 ' HA ' HG23 ' A' ' 58' ' ' ILE . 46.4 m-85 57.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -167.86 74.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.814 HG22 ' SG ' ' A' ' 37' ' ' CYS . 63.2 t -40.31 -55.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -41.41 -57.51 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 1.1 mmtp -67.44 -60.46 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -39.63 -43.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.568 HD12 HG12 ' A' ' 65' ' ' VAL . 11.9 mt -72.47 -52.62 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.94 -31.62 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.633 HG21 ' NE2' ' A' ' 61' ' ' HIS . 38.2 t -92.14 -49.33 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 68' ' ' ALA . 23.2 t -56.87 -18.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' LEU . 46.6 mt -89.26 -53.46 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.64 -14.08 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.9 -46.87 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -64.22 -59.73 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD22 HD13 ' A' ' 58' ' ' ILE . 2.3 tm? -40.61 -53.45 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.18 -39.15 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 82.5 m -94.87 -15.27 23.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' A' ' 42' ' ' ARG . 1.4 tp -93.21 -59.37 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -46.78 -40.7 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -62.5 -53.56 52.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.603 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -70.08 -13.81 62.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.4 mmm180 -74.32 -51.07 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -15.71 4.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' HG ' ' A' ' 45' ' ' LEU . 97.2 t -91.98 -74.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -94.5 -33.38 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 20.7 m-20 -39.17 -53.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.47 -43.13 3.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.704 HG13 ' HD2' ' A' ' 50' ' ' PRO . 76.8 t -66.45 143.43 98.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.704 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -52.43 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 -64.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -39.57 -63.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 52.2 mt -52.15 -50.87 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.889 ' HA ' HD12 ' A' ' 58' ' ' ILE . 20.0 m -50.34 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' LYS . 5.9 mt-10 -39.07 -52.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -44.86 -50.81 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 55' ' ' THR . 10.6 mt -51.24 -61.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.571 ' N ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -62.7 -14.17 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.14 -21.69 56.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' NE2' HG21 ' A' ' 71' ' ' VAL . 44.4 m-70 -136.91 34.15 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.32 73.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.873 ' HA ' HG23 ' A' ' 58' ' ' ILE . 11.9 m-85 50.65 88.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 73.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.685 HG12 HD12 ' A' ' 69' ' ' LEU . 75.0 t -45.39 -54.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.75 -48.45 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -78.15 -58.31 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.29 -37.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.685 HD12 HG12 ' A' ' 65' ' ' VAL . 6.5 mt -74.07 -52.94 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -28.04 15.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG21 ' NE2' ' A' ' 61' ' ' HIS . 95.3 t -92.27 -49.22 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 68' ' ' ALA . 10.3 t -55.09 -44.37 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 73' ' ' LEU . 8.2 mt -48.21 -62.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -54.18 -60.45 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.38 -62.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -47.41 -49.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.575 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.8 OUTLIER -54.99 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -45.9 -38.95 8.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 p -54.64 -27.33 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 65' ' ' VAL . 8.7 m -93.32 -52.53 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.78 HD23 ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -44.05 -50.23 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' LEU . 18.8 t70 -39.94 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 38' ' ' LEU . 83.9 t60 -84.95 -76.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.567 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -47.54 -22.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.78 ' NE ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.65 -26.53 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -92.89 -12.9 29.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 t -90.31 -73.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 72' ' ' VAL . 1.2 mp -97.03 -31.97 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -37.17 -30.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.0 -54.39 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.54 -45.56 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 1.6 t -63.41 138.9 97.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -85.28 -54.96 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' ASP . 17.9 m-20 -38.74 -63.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -39.62 -52.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.4 -58.41 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.579 ' HA ' HD12 ' A' ' 58' ' ' ILE . 1.2 m -42.0 -47.53 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 59' ' ' LEU . 1.2 mm-40 -55.01 -62.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.867 HG23 ' HA ' ' A' ' 63' ' ' PHE . 26.4 mt -56.51 -50.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -70.93 -14.01 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.49 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -76.02 -22.08 56.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 5.0 m-70 -135.69 31.18 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' CE ' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.92 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.867 ' HA ' HG23 ' A' ' 58' ' ' ILE . 24.5 m-85 56.99 90.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' VAL . 12.9 t0 -156.84 64.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.568 HG23 ' SG ' ' A' ' 37' ' ' CYS . 25.2 t -38.98 -57.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.64 -44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.68 ' HD3' HG23 ' A' ' 71' ' ' VAL . 2.1 tmtt? -83.92 -55.91 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -42.4 -38.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 45' ' ' LEU . 3.9 mt -73.43 -44.98 57.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.43 -27.89 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HD3' ' A' ' 67' ' ' LYS . 88.8 t -92.11 -46.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 45' ' ' LEU . 27.7 t -59.07 -46.81 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.33 -59.61 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -48.38 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.33 -36.89 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -45.43 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.872 HD11 HG23 ' A' ' 55' ' ' THR . 0.3 OUTLIER -57.23 -59.95 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -34.69 15.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.59 -27.64 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.794 ' SG ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -83.29 -33.61 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD11 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.04 -74.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -36.6 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.597 ' O ' HG23 ' A' ' 44' ' ' VAL . 36.2 t60 -81.42 -75.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.533 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -49.61 -53.52 23.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -43.7 -58.1 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 0.4 OUTLIER -50.75 -22.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 40' ' ' HIS . 19.8 t -91.68 -75.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.917 HD13 HG11 ' A' ' 72' ' ' VAL . 1.1 mp -83.81 -41.62 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -47.16 -42.15 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.8 -53.18 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.018 HG21 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.11 157.57 89.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.622 ' HG2' HD13 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.03 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.552 ' CB ' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -93.33 -44.1 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -55.1 -60.08 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 50' ' ' PRO . 1.4 mp -39.84 -37.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.018 HD21 HG21 ' A' ' 49' ' ' VAL . 54.9 mt -77.83 -53.13 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.969 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.8 m -47.36 -44.12 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.89 -46.75 78.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' CB ' HG23 ' A' ' 72' ' ' VAL . . . -52.47 -45.14 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.946 HD12 ' HA ' ' A' ' 55' ' ' THR . 10.2 mt -54.1 -57.37 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.29 -14.47 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.494 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.55 -23.74 61.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.761 ' NE2' HG21 ' A' ' 71' ' ' VAL . 36.0 m-70 -137.01 33.83 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.46 73.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.831 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.3 m-85 49.71 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -160.4 72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.794 HG22 ' SG ' ' A' ' 37' ' ' CYS . 56.7 t -41.73 -56.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.89 -40.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.66 -54.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -44.76 -39.52 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.722 HD23 HD11 ' A' ' 45' ' ' LEU . 3.6 mt -71.14 -60.65 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 t -45.82 -31.78 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.761 HG21 ' NE2' ' A' ' 61' ' ' HIS . 94.4 t -86.72 -51.55 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.917 HG11 HD13 ' A' ' 45' ' ' LEU . 3.8 t -52.26 -47.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.37 -63.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -57.84 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.83 -63.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 ptm85 -55.47 -18.36 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -81.14 -37.81 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.62 -9.09 17.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -94.9 -21.33 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.954 ' SG ' HD13 ' A' ' 58' ' ' ILE . 31.0 p -96.31 -39.72 9.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -61.96 -73.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' LEU . 58.2 t0 -36.49 -41.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 44' ' ' VAL . 14.0 t60 -57.56 -71.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 54' ' ' LEU . 2.1 ttm -58.45 -34.23 70.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.05 -59.04 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -18.04 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 40' ' ' HIS . 69.0 t -91.28 -74.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' ASP . 2.7 mp -88.99 -40.06 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -31.59 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 14.3 m-20 -47.12 -41.51 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.56 -53.32 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.059 HG21 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.51 159.28 85.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -54.75 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.3 m-20 -40.42 -64.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.7 mt -38.19 -58.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.059 HD21 HG21 ' A' ' 49' ' ' VAL . 47.4 mt -56.78 -52.44 65.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -45.73 -60.38 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.2 mt-10 -43.13 -55.47 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -42.29 -47.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.954 HD13 ' SG ' ' A' ' 37' ' ' CYS . 5.3 mt -63.0 -41.81 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.448 ' CD2' ' O ' ' A' ' 55' ' ' THR . 3.4 mm? -71.05 -13.78 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 2.2 tpmt? -82.81 -14.52 54.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.8 m-70 -133.68 25.65 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 38.62 65.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.848 ' HA ' HG23 ' A' ' 58' ' ' ILE . 28.0 m-85 60.89 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 8.3 t0 -162.88 64.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 40' ' ' HIS . 53.5 t -40.03 -56.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -38.78 -49.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -78.18 -57.71 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.06 -39.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -73.31 -49.71 26.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -29.55 36.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.19 -48.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 68' ' ' ALA . 7.3 t -53.64 -41.06 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.79 -60.11 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -54.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -59.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.63 -49.87 75.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 55' ' ' THR . 0.5 OUTLIER -49.41 -63.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -50.77 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.67 -24.64 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 35.4 m -94.54 -60.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.082 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -42.12 -61.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' LEU . 5.0 t0 -36.85 -33.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 t60 -69.45 -75.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.403 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -49.49 -20.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.501 ' HA ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -78.93 -43.18 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.98 -25.68 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.727 HG22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.16 -75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.749 HD13 HG11 ' A' ' 72' ' ' VAL . 1.4 mp -75.3 -50.16 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -36.74 -31.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t70 -48.13 -44.95 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -48.39 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.038 HG21 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -73.77 158.52 85.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 -167.74 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.78 -55.59 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ILE . 67.6 m-20 -40.48 -63.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . 11.8 mt -37.73 -51.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.038 HD21 HG21 ' A' ' 49' ' ' VAL . 37.3 mt -65.65 -53.97 34.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.936 ' O ' HD22 ' A' ' 59' ' ' LEU . 58.9 m -44.31 -51.61 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.3 mt-10 -50.71 -48.34 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -49.02 -47.47 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.813 HG23 ' HA ' ' A' ' 63' ' ' PHE . 11.8 mt -55.73 -57.1 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -65.2 -14.27 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -74.63 -17.84 60.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.433 ' NE2' HG21 ' A' ' 71' ' ' VAL . 34.1 m-70 -141.09 31.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.43 67.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.813 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.5 m-85 56.42 94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 18.0 t0 -163.26 64.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.505 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 51.0 t -41.69 -56.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.13 -35.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 32.5 tptt -94.1 -51.16 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.16 -36.88 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.19 -57.18 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -27.17 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.433 HG21 ' NE2' ' A' ' 61' ' ' HIS . 93.4 t -90.42 -39.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.749 HG11 HD13 ' A' ' 45' ' ' LEU . 18.1 t -68.99 -14.66 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.81 -34.65 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -83.86 -12.32 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.38 -54.51 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -58.85 -55.84 29.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -42.6 -58.27 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -56.45 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -48.29 -24.48 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' HG23 ' A' ' 65' ' ' VAL . 6.3 m -94.12 -52.79 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.686 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -52.29 -60.0 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -36.71 -60.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CD2' HD11 ' A' ' 69' ' ' LEU . 20.4 t60 -39.46 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.543 ' HG2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -52.16 -39.53 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.686 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.47 -10.21 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.66 -48.23 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -53.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.69 ' CD2' HG11 ' A' ' 72' ' ' VAL . 6.2 mp -72.42 -51.9 18.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.87 -35.09 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.76 -56.81 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.11 -52.92 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.718 HG13 ' HD2' ' A' ' 50' ' ' PRO . 79.7 t -60.44 143.3 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.718 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.07 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 1.8 p-10 -92.38 -58.21 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.7 t0 -39.36 -66.56 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 mt -39.9 -46.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' HB2' HD21 ' A' ' 38' ' ' LEU . 74.9 mt -66.31 -54.34 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.873 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.3 m -48.11 -52.44 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -47.45 -53.72 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -46.38 -49.95 17.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 55' ' ' THR . 11.1 mt -52.44 -60.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -63.12 -14.25 46.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.94 -23.28 60.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.6 m-70 -137.53 33.9 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HE2' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.3 68.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.825 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.0 m-85 56.11 92.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 8.7 t0 -159.46 60.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 69' ' ' LEU . 54.9 t -40.16 -59.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 1.2 mt-30 -37.32 -36.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 26.8 tptt -93.4 -53.46 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -46.52 -35.64 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -65.78 -74.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 t -44.53 -34.79 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.22 -40.84 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 68' ' ' ALA . 3.8 t -68.64 -45.6 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.49 -54.77 8.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.9 -48.48 76.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.29 -51.66 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' CYS . 37.9 mtt180 -53.63 -60.54 3.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 34' ' ' LEU . 3.3 tm? -39.85 -56.99 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.5 -44.05 97.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -23.06 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' HG23 ' A' ' 65' ' ' VAL . 8.8 m -94.75 -60.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.866 HD22 ' HG3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -41.16 -65.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' LEU . 6.3 t70 -34.98 -35.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.615 ' CD2' HG11 ' A' ' 65' ' ' VAL . 17.0 t60 -63.41 -69.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.98 -21.21 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.866 ' HG3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.77 -20.32 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.51 -29.26 16.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.543 ' HB ' HD12 ' A' ' 45' ' ' LEU . 45.2 t -94.4 -50.93 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.777 ' CD2' HG11 ' A' ' 72' ' ' VAL . 2.5 mp -92.72 -54.25 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -37.1 -30.46 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 64.8 m-20 -44.03 -46.14 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.9 -53.38 2.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.104 HG21 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -69.46 160.33 79.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 1.5 p-10 -94.2 -59.12 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -39.59 -64.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 8.4 mt -36.78 -45.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.104 HD21 HG21 ' A' ' 49' ' ' VAL . 43.6 mt -73.96 -54.39 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.709 ' OG1' HD11 ' A' ' 38' ' ' LEU . 91.0 m -43.09 -43.08 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 59' ' ' LEU . 2.0 mt-10 -61.2 -54.33 45.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.77 -45.05 7.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.805 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.1 mt -57.38 -55.27 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -65.81 -14.27 61.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -73.06 -17.6 61.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 11.1 m-70 -140.32 32.45 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.548 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.91 63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.805 ' HA ' HG23 ' A' ' 58' ' ' ILE . 28.6 m-85 60.91 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -157.84 61.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.022 HG12 HD12 ' A' ' 69' ' ' LEU . 72.6 t -40.39 -55.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -51.99 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 71' ' ' VAL . 13.0 tptt -76.37 -57.77 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -40.95 -37.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.022 HD12 HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -67.35 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -50.62 -33.0 20.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.55 HG23 ' HG3' ' A' ' 67' ' ' LYS . 54.5 t -77.73 -41.07 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.777 HG11 ' CD2' ' A' ' 45' ' ' LEU . 5.8 t -68.23 -48.32 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.3 mp -44.05 -54.52 5.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.12 -49.88 70.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.1 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -48.12 -45.51 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.873 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -56.34 -67.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.873 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.5 m-85 -53.23 -38.17 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -59.98 -25.56 65.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.8 m -94.81 -24.9 16.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.91 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.66 -56.58 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -37.88 -32.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 83.4 t60 -67.37 -67.1 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.502 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.18 -13.3 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 7.8 ttt180 -80.64 -35.81 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.74 -24.46 53.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' HD12 ' A' ' 45' ' ' LEU . 69.6 t -94.98 -54.02 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.74 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -95.22 -54.12 3.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -36.26 -31.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 m-20 -39.26 -44.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.47 -53.55 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 1.075 HG21 HD21 ' A' ' 54' ' ' LEU . 1.1 m -70.03 161.38 75.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.94 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.72 -58.16 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ILE . 3.8 t70 -39.7 -65.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.3 mt -35.93 -46.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.075 HD21 HG21 ' A' ' 49' ' ' VAL . 32.9 mt -70.26 -53.55 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.94 ' O ' HD22 ' A' ' 59' ' ' LEU . 21.7 m -45.03 -48.15 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.35 -50.1 68.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.6 -45.91 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.797 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.6 mt -56.54 -58.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.94 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -61.84 -14.69 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -75.21 -18.5 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 9.5 m-70 -137.47 30.39 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.9 68.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.797 ' HA ' HG23 ' A' ' 58' ' ' ILE . 5.1 m-85 54.11 92.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' LYS . 16.9 t0 -160.91 60.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.915 HG12 HD12 ' A' ' 69' ' ' LEU . 96.0 t -41.66 -54.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -38.24 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASP . 29.3 tptt -88.17 -51.12 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.681 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -49.37 -34.85 17.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.915 HD12 HG12 ' A' ' 65' ' ' VAL . 3.1 mt -73.56 -34.1 65.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -74.0 -26.61 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -92.31 -48.12 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 68' ' ' ALA . 55.8 t -57.86 -44.6 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 69' ' ' LEU . 15.3 mt -47.6 -57.44 5.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.54 -50.32 74.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' LEU . 2.6 mt-30 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -37.96 -66.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 21.8 mtt180 -42.44 -40.71 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.481 HD12 HG21 ' A' ' 58' ' ' ILE . 1.3 tt -72.46 -45.85 57.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.06 -36.69 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -63.04 -22.86 67.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LEU . 91.2 m -94.39 -45.9 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -39.1 -71.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t0 -35.11 -63.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 44' ' ' VAL . 39.9 t60 -44.4 -70.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.846 ' SD ' HG23 ' A' ' 65' ' ' VAL . 1.3 ttp -57.24 -16.04 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -71.89 -54.3 10.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.39 -15.55 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' HIS . 12.4 t -92.05 -74.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD13 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -95.49 -32.66 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -35.34 -33.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 13.0 t0 -41.19 -60.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.24 -43.59 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.47 HG13 ' HD2' ' A' ' 50' ' ' PRO . 70.7 t -62.86 137.32 96.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.808 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -92.53 -50.09 5.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.14 -66.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -39.73 -44.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 41' ' ' MET . 33.0 mt -69.35 -47.96 62.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.703 HG22 HD11 ' A' ' 59' ' ' LEU . 92.6 m -50.94 -57.31 8.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HA ' HD12 ' A' ' 59' ' ' LEU . 11.6 mt-10 -51.44 -63.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.43 -44.64 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.81 HG23 ' HA ' ' A' ' 63' ' ' PHE . 11.2 mt -57.3 -52.94 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.703 HD11 HG22 ' A' ' 55' ' ' THR . 1.4 mt -64.79 -13.42 55.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -84.55 -13.72 50.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 20.4 m-70 -136.91 28.95 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.81 79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.81 ' HA ' HG23 ' A' ' 58' ' ' ILE . 5.8 m-85 40.05 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' LYS . 12.1 t0 -169.08 62.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.846 HG23 ' SD ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -43.43 -36.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -53.9 -39.64 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -92.74 -26.31 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 65' ' ' VAL . . . -75.4 -22.98 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD23 HD11 ' A' ' 45' ' ' LEU . 5.8 mt -75.2 -45.25 41.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.8 m -57.25 -29.25 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.8 t -92.24 -49.53 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 45' ' ' LEU . 21.4 t -54.64 -31.63 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 mt -82.48 -51.26 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -51.76 -43.44 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -38.11 60.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -69.93 -59.46 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.814 HD22 HD13 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -42.91 -53.16 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.14 -41.3 87.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -22.8 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.829 ' SG ' HG22 ' A' ' 65' ' ' VAL . 2.0 t -94.37 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 108.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.702 HD21 ' HA ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -38.31 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -49.08 -50.97 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.456 ' CD2' HG11 ' A' ' 65' ' ' VAL . 11.8 t60 -58.0 -66.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.65 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -59.49 -10.97 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -22.62 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.749 HG22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -96.16 -76.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.749 ' N ' HG22 ' A' ' 44' ' ' VAL . 1.7 mp -78.03 -41.75 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 42' ' ' ARG . . . -36.15 -32.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -40.43 -55.25 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.65 -51.32 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG13 ' HD2' ' A' ' 50' ' ' PRO . 1.6 t -61.18 141.85 93.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.702 ' HA ' HD21 ' A' ' 38' ' ' LEU . 1.4 p30 -88.97 -55.66 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.3 t70 -37.96 -63.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.1 mt -39.71 -59.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.65 HD22 ' SD ' ' A' ' 41' ' ' MET . 51.1 mt -57.11 -53.88 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.928 ' O ' HD22 ' A' ' 59' ' ' LEU . 98.3 m -43.94 -57.32 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.8 mt-10 -42.75 -48.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HB3' ' HE1' ' A' ' 41' ' ' MET . . . -52.05 -48.1 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.887 HG23 ' HA ' ' A' ' 63' ' ' PHE . 20.8 mt -55.28 -51.53 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -70.41 -14.06 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.48 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -78.72 -19.19 52.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 1.007 ' NE2' HG21 ' A' ' 71' ' ' VAL . 42.9 m-70 -137.68 31.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.28 66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.887 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.0 m-85 56.68 100.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -168.6 73.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.829 HG22 ' SG ' ' A' ' 37' ' ' CYS . 77.3 t -40.57 -56.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -38.87 -52.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.0 tptt -74.76 -57.46 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.686 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -39.63 -43.12 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.2 mt -72.17 -52.25 17.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -30.82 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 1.007 HG21 ' NE2' ' A' ' 61' ' ' HIS . 15.6 t -89.62 -44.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 68' ' ' ALA . 25.2 t -64.51 -14.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' LEU . 67.2 mt -92.07 -54.57 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.13 -23.32 20.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.514 ' OE1' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.27 -38.71 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -56.47 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.566 HD21 HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -45.02 -63.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -43.38 -57.57 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 p -47.09 -25.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.656 ' SG ' HG23 ' A' ' 65' ' ' VAL . 6.9 m -94.89 -64.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -38.89 -62.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.9 m-20 -36.07 -53.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -44.27 -74.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.791 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.11 -39.32 69.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.53 ' HG3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -66.61 -11.18 52.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' ASP . 2.6 tt0 -81.68 -48.4 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -95.27 -55.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.791 HD13 ' HG2' ' A' ' 41' ' ' MET . 5.3 mp -70.75 -50.97 30.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.18 -29.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' LEU . 30.0 t0 -39.26 -50.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.25 -55.87 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 45' ' ' LEU . 5.5 p -61.0 142.69 92.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 2.9 p-10 -91.35 -39.94 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -52.77 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -40.08 -64.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.704 ' HB2' HD21 ' A' ' 38' ' ' LEU . 48.7 mt -49.54 -49.03 47.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.812 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -53.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -41.75 -45.2 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.52 -47.53 76.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.819 HG23 ' HA ' ' A' ' 63' ' ' PHE . 9.4 mt -54.85 -55.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -64.83 -14.15 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -73.64 -14.67 61.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -144.14 30.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.99 65.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.819 ' HA ' HG23 ' A' ' 58' ' ' ILE . 23.5 m-85 60.83 91.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 67' ' ' LYS . 3.4 t0 -160.7 63.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.931 HG12 HD12 ' A' ' 69' ' ' LEU . 67.6 t -39.39 -54.93 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -81.22 -59.43 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -42.39 -33.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.931 HD12 HG12 ' A' ' 65' ' ' VAL . 9.3 mt -73.0 -58.01 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -47.82 -28.97 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.05 -49.31 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 68' ' ' ALA . 5.2 t -54.16 -45.26 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.83 -53.86 53.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -50.22 74.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.57 -38.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -48.33 41.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -52.55 -55.93 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -58.24 -45.43 87.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -60.63 -21.11 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 63.4 m -94.28 -55.75 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -46.45 -48.29 18.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -43.19 -60.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.411 ' CD2' HD11 ' A' ' 69' ' ' LEU . 71.2 t60 -44.07 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.658 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.8 mtm -53.82 -17.26 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' LEU . 30.4 ttt180 -86.37 -11.55 51.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -92.7 -34.11 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 45' ' ' LEU . 12.4 p -93.64 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -85.12 -50.3 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -30.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m-20 -39.08 -58.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.37 -38.89 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.783 HG13 ' HD2' ' A' ' 50' ' ' PRO . 53.7 t -68.84 144.36 95.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.783 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -165.98 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.48 -49.87 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 5.0 m-20 -39.1 -67.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.5 mt -38.8 -57.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 38' ' ' LEU . 61.4 mt -56.11 -55.52 31.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.983 ' O ' HD22 ' A' ' 59' ' ' LEU . 4.3 m -47.88 -57.55 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LYS . 14.0 mt-10 -47.57 -55.0 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -45.21 -51.06 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.878 HG23 ' HA ' ' A' ' 63' ' ' PHE . 8.7 mt -53.09 -60.07 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.983 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.18 -14.29 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -74.98 -22.19 58.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.3 m-70 -134.68 32.81 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.51 68.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.878 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.5 m-85 55.82 89.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.64 83.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 69' ' ' LEU . 53.1 t -56.95 -55.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -38.08 -34.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -93.9 -54.57 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -47.48 -33.78 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.725 HD12 HG12 ' A' ' 65' ' ' VAL . 5.8 mt -73.57 -46.23 48.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -28.9 64.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.7 t -92.26 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 68' ' ' ALA . 12.3 t -57.21 -46.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.76 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.8 -55.75 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.7 -54.33 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -62.28 -48.46 79.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -53.8 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.83 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.4 m-85 -55.21 -44.03 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 t -59.03 -24.45 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 12.5 m -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -72.35 -58.75 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 51.9 t0 -40.65 -52.74 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 64.2 t60 -44.38 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -34.98 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.7 -60.14 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -14.41 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 40' ' ' HIS . 59.1 t -91.42 -75.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.1 mp -96.96 -28.72 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.26 -30.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -36.23 -42.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.82 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.821 HG11 HD21 ' A' ' 54' ' ' LEU . 9.3 p -64.36 141.69 98.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -89.9 -41.06 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ILE . 12.3 m-20 -51.95 -66.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 4.1 mt -38.87 -60.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 HG11 ' A' ' 49' ' ' VAL . 43.9 mt -53.73 -53.92 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.814 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.3 m -46.72 -59.12 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.8 -45.59 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -52.08 -46.33 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.788 HG23 ' HA ' ' A' ' 63' ' ' PHE . 6.0 mt -56.88 -55.79 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.814 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -65.07 -14.4 60.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 1.1 tpmt? -77.57 -15.89 58.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.5 m-70 -138.88 28.01 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.12 66.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.788 ' HA ' HG23 ' A' ' 58' ' ' ILE . 8.7 m-85 55.73 91.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 10.4 t0 -160.33 60.84 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 78.5 t -40.61 -57.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -37.93 -36.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 16.5 tptt -93.97 -51.65 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.08 -30.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 45' ' ' LEU . 3.2 mt -72.18 -53.12 13.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -54.67 -26.6 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.6 t -91.88 -42.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 68' ' ' ALA . 12.3 t -63.33 -14.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -92.2 -49.57 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 9.3 pt-20 -64.91 -18.05 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.04 -56.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -49.96 -54.02 22.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.8 tm? -46.83 -61.6 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CD1' HD23 ' A' ' 38' ' ' LEU . 2.1 m-85 -54.87 -38.06 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -25.6 64.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 31.4 m -94.85 -22.28 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.796 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.77 -59.64 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 49.9 t0 -44.53 -39.05 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.09 -71.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.617 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.8 -13.76 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 14.2 ttt180 -76.71 -26.27 54.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -12.67 29.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.88 -74.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 69' ' ' LEU . 1.4 mp -97.18 -27.93 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA2' HG13 ' A' ' 49' ' ' VAL . . . -36.33 -32.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.5 t0 -38.76 -38.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -54.44 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.938 HG11 HD21 ' A' ' 54' ' ' LEU . 9.8 p -67.25 141.39 96.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.16 -33.73 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -58.56 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.0 mt -38.98 -64.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.938 HD21 HG11 ' A' ' 49' ' ' VAL . 65.5 mt -46.78 -50.34 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.775 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.09 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -43.77 -40.1 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -58.63 -47.86 82.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.652 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.4 mt -52.13 -52.03 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -67.59 -27.53 67.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -58.96 -17.27 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 5.8 m-70 -140.22 23.59 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 42.54 79.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.652 ' HA ' HG23 ' A' ' 58' ' ' ILE . 31.8 m-85 46.03 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.0 t70 -153.7 57.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG12 HD12 ' A' ' 69' ' ' LEU . 53.7 t -40.28 -58.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.53 -36.69 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HD3' HG23 ' A' ' 71' ' ' VAL . 5.8 tmtm? -93.03 -54.25 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -47.06 -29.96 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 41' ' ' MET . 5.8 mt -73.36 -49.01 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.3 t -54.31 -29.43 47.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 ' HD3' ' A' ' 67' ' ' LYS . 49.1 t -92.2 -47.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 68' ' ' ALA . 9.0 t -55.37 -25.92 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.637 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -92.29 -50.13 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 21.9 tt0 -50.46 -30.31 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' TYR . 6.9 mt-30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -38.8 92.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -67.77 -28.8 67.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' GLN . 3.6 m-85 -86.52 -12.42 48.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -15.7 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.908 ' SG ' HD13 ' A' ' 58' ' ' ILE . 26.4 p -94.68 -43.57 8.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.628 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -54.41 -71.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' LEU . 11.2 t70 -35.11 -57.89 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.428 ' CD2' HG11 ' A' ' 65' ' ' VAL . 32.5 t60 -38.85 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.757 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -56.72 -35.6 68.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.546 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.94 -8.24 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' ASP . 12.9 tt0 -87.95 -44.33 11.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 45' ' ' LEU . 9.4 p -94.41 -54.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 ' N ' HG13 ' A' ' 44' ' ' VAL . 34.6 mt -78.14 -47.98 16.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.33 -31.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.9 m-20 -38.51 -54.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.85 -53.3 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 50' ' ' PRO . 83.1 t -59.8 143.22 87.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.37 -56.71 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.7 m-20 -38.27 -68.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.6 mt -39.59 -63.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HG ' HG12 ' A' ' 49' ' ' VAL . 47.2 mt -49.6 -49.42 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.773 HG23 HD21 ' A' ' 34' ' ' LEU . 47.4 m -55.23 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -38.2 -53.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.95 -46.78 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.908 HD13 ' SG ' ' A' ' 37' ' ' CYS . 4.7 mt -63.85 -42.94 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 59' ' ' LEU . 2.7 mm? -71.29 -13.62 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 1.4 tpmt? -84.23 -14.27 50.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 9.6 m-70 -133.93 27.02 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.55 67.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.878 ' HA ' HG23 ' A' ' 58' ' ' ILE . 59.7 m-85 58.46 97.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -174.31 65.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.789 ' CG1' HD12 ' A' ' 69' ' ' LEU . 54.8 t -41.7 -58.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -36.86 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.7 tptp -94.09 -47.28 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -56.58 -41.05 76.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.789 HD12 ' CG1' ' A' ' 65' ' ' VAL . 9.0 mt -70.53 -42.78 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -30.19 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 67' ' ' LYS . 49.0 t -92.48 -49.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.483 ' CG1' HD13 ' A' ' 45' ' ' LEU . 4.4 t -54.01 -41.6 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.07 -57.33 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.03 -52.19 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 m -66.1 144.95 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.764 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t 45.43 80.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.94 -93.31 0.33 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.123 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -126.78 115.18 18.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -150.56 164.64 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.987 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 160.99 21.58 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.43 -62.51 1.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.93 -58.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.25 -67.29 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -39.3 -51.46 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -57.7 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.88 -56.29 13.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -42.13 -51.74 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 64.58 99.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 57.69 161.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 t -49.47 108.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.46 -57.66 5.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -127.51 128.69 46.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.65 -56.7 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.988 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 tp -40.53 -63.89 0.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.5 tp -40.83 -67.33 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -40.71 -57.32 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -44.93 -60.39 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.621 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.56 -38.89 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mt 60.0 153.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -66.12 137.44 57.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -40.43 -47.04 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.298 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -51.51 -73.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 33' ' ' ARG . 93.9 m-20 -44.2 -53.97 6.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.31 -57.14 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.15 -36.53 41.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 30' ' ' ASP . 8.3 mmt180 -73.33 -50.97 19.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' C ' ' A' ' 34' ' ' LEU . 2.9 tm? -52.8 -56.99 11.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -59.97 -43.71 94.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.147 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -62.96 -20.66 65.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 84.6 m -94.46 -60.04 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 108.331 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD12 HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -41.79 -60.15 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 m-20 -38.88 -54.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -51.35 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.413 ' HG2' HD22 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -50.02 -21.45 1.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.41 -57.67 6.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.4 -18.03 3.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.8 t -92.24 -74.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.75 HD13 HG11 ' A' ' 72' ' ' VAL . 1.8 mp -88.42 -38.92 14.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.23 -32.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -39.92 -59.07 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.27 -39.37 5.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.72 HG13 ' HD2' ' A' ' 50' ' ' PRO . 67.8 t -68.47 143.87 95.83 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.72 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.5 Cg_endo -74.97 -162.64 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.812 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.11 -52.59 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 51' ' ' ASP . 93.9 m-20 -38.69 -62.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -40.27 -56.42 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 45' ' ' LEU . 35.4 mt -61.11 -52.18 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.486 ' HA ' HD12 ' A' ' 58' ' ' ILE . 2.5 m -45.37 -54.35 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -53.47 -59.62 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.337 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.59 -48.27 2.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.822 HG23 ' HA ' ' A' ' 63' ' ' PHE . 6.7 mt -56.38 -51.22 66.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.57 -14.1 62.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -74.15 -21.12 59.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.434 ' CE1' HG21 ' A' ' 71' ' ' VAL . 8.9 m-70 -136.68 30.9 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.557 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 40.07 67.35 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.822 ' HA ' HG23 ' A' ' 58' ' ' ILE . 32.0 m-85 56.99 89.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -158.45 66.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 54.0 t -39.74 -55.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -41.73 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.7 tmtm? -86.06 -54.36 4.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.67 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -44.38 -38.65 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.3 mt -72.5 -56.6 5.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.41 -29.34 6.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 67' ' ' LYS . 21.9 t -90.33 -46.54 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.75 HG11 HD13 ' A' ' 45' ' ' LEU . 10.6 t -59.84 -19.84 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 69' ' ' LEU . 25.3 mt -86.55 -52.06 5.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -63.52 -20.03 65.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -65.49 -44.82 85.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.51 -48.47 10.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -49.78 -26.25 7.88 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -45.86 70.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.51 -70.84 0.64 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 113.15 3.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 t -159.87 156.92 28.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.8 164.23 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 t -72.35 136.68 46.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 0.767 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 p -154.8 154.37 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 132.58 3.57 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.85 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m 71.28 -66.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.77 140.49 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -92.16 -53.07 4.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -47.59 -47.09 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -39.36 -65.98 0.77 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -38.05 -55.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.37 -49.86 67.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -43.27 -54.93 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD23 ' CB ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -49.26 -50.78 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 48.48 90.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 77.94 108.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.566 ' CB ' HD23 ' A' ' 14' ' ' LEU . 1.5 t -179.43 146.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.8 -65.25 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.963 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 52.67 99.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.6 p -44.63 -43.68 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.11 -61.32 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.8 tt -43.85 -61.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' LEU . 7.7 t-20 -42.85 -51.44 5.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.338 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -41.35 -53.77 3.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.629 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -40.34 -39.41 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 55.3 mt 61.21 116.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 p -44.81 142.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -39.76 -55.94 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.527 HD13 ' HA ' ' A' ' 29' ' ' ILE . 3.8 mm -48.11 -59.3 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -53.82 -52.36 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -39.95 -59.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.25 -63.47 0.81 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -48.55 -50.15 33.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.4 tm? -50.38 -56.82 9.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.462 ' N ' HD13 ' A' ' 34' ' ' LEU . 3.5 m-85 -61.67 -40.3 94.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.25 -20.64 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 65.0 m -94.52 -42.45 8.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.627 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -56.26 -58.25 8.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.35 -50.18 2.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -51.43 -75.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.6 -18.15 2.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -75.15 -20.92 59.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.1 -16.85 23.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.01 -72.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD22 ' CG1' ' A' ' 72' ' ' VAL . 2.4 mp -90.69 -36.07 14.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.81 -30.88 0.04 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.4 m-20 -39.23 -56.35 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.75 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.33 -41.66 4.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.738 HG13 ' HD2' ' A' ' 50' ' ' PRO . 62.2 t -66.9 144.0 98.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.738 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.91 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 52' ' ' ASP . 1.1 p-10 -92.05 -53.55 4.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 51' ' ' ASP . 64.2 m-20 -38.97 -65.57 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.5 mt -40.08 -52.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.627 ' HB2' HD21 ' A' ' 38' ' ' LEU . 76.2 mt -61.28 -58.14 9.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.906 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.5 m -43.43 -53.09 5.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.368 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -43.19 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.09 -42.21 72.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.851 HD12 ' HA ' ' A' ' 55' ' ' THR . 5.9 mt -59.29 -55.81 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -64.26 -14.13 53.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.01 -18.33 61.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.718 ' CE1' HG21 ' A' ' 71' ' ' VAL . 15.8 m-70 -142.45 32.7 1.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.27 67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.83 ' HA ' HG23 ' A' ' 58' ' ' ILE . 9.7 m-85 57.0 90.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.9 t70 -161.09 67.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 55.0 t -41.62 -53.48 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.65 -38.27 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' O ' HG23 ' A' ' 71' ' ' VAL . 1.2 tmtp? -87.93 -51.44 5.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.689 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.33 -39.14 20.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mt -72.91 -45.82 56.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.37 -28.64 67.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.026 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.718 HG21 ' CE1' ' A' ' 61' ' ' HIS . 60.6 t -91.58 -45.27 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 68' ' ' ALA . 26.2 t -61.72 -14.7 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 73' ' ' LEU . 31.4 mt -89.33 -39.93 13.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -77.32 -21.79 52.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 110.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -68.61 -29.78 68.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -48.23 56.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -47.89 -27.76 5.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -54.01 -37.29 63.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.528 0.781 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.49 -69.7 1.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 66.94 5.96 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.62 -61.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -98.33 -60.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.81 -58.87 0.57 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -130.39 165.5 22.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.15 -76.5 0.1 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.494 1.121 . . . . 0.0 111.031 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.1 p -149.19 94.95 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.783 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.6 p -169.54 100.19 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.951 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.55 172.94 5.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.23 -58.08 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -92.52 -51.15 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.49 -61.53 4.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -38.79 -52.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.39 -57.1 9.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -53.12 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.63 -48.7 19.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 42.54 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -160.0 168.65 25.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -163.01 78.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.52 -56.95 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -74.77 169.46 17.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -68.18 -56.39 8.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.7 mt -43.82 -62.15 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -55.09 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -52.55 -55.47 21.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -43.32 -54.15 4.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.618 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.03 -53.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 26' ' ' LEU . 6.8 mt 62.73 132.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.1 p -47.24 148.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -24.08 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.7 mt -74.85 -67.35 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -47.98 -41.7 25.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -53.18 -61.28 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.77 -46.53 3.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -68.4 -51.11 47.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -49.81 -53.61 24.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.504 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.8 m-85 -59.2 -45.93 89.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -21.14 61.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.028 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 72.0 m -94.22 -48.9 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 108.288 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.776 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -52.94 -64.23 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 38' ' ' LEU . 46.7 t0 -37.73 -56.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -40.49 -72.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.611 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.628 ' CG ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.12 -27.83 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.776 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.63 -22.83 65.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.52 -13.8 27.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 110.341 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.3 t -91.14 -73.62 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.769 HD13 ' CG1' ' A' ' 72' ' ' VAL . 1.2 mp -94.61 -33.66 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.38 -30.4 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' LEU . 5.0 t70 -40.07 -52.39 2.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.07 -37.63 5.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.38 145.15 87.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.426 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -74.93 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER -92.16 -55.36 3.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.4 m-20 -39.51 -64.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.1 mt -39.47 -62.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.719 ' HB2' HD21 ' A' ' 38' ' ' LEU . 69.6 mt -54.13 -53.02 59.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.81 ' HA ' HD12 ' A' ' 58' ' ' ILE . 86.2 m -49.25 -59.7 3.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.378 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.69 -48.22 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 110.337 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -50.04 -48.6 52.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.829 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.5 mt -53.66 -55.94 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.788 HD22 ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -67.65 -14.12 62.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -72.39 -19.85 61.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 62' ' ' LYS . 25.2 m-70 -139.46 35.84 2.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.628 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.83 67.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.829 ' HA ' HG23 ' A' ' 58' ' ' ILE . 16.6 m-85 55.91 90.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 15.1 t0 -156.36 65.26 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG12 HD12 ' A' ' 69' ' ' LEU . 42.9 t -39.36 -55.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.53 -49.49 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -77.73 -58.45 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.18 -33.97 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.628 HD21 ' CG ' ' A' ' 41' ' ' MET . 7.6 mt -73.19 -52.68 13.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.97 -29.93 9.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.23 -50.8 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.769 ' CG1' HD13 ' A' ' 45' ' ' LEU . 11.9 t -52.48 -40.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 HD23 HD21 ' A' ' 45' ' ' LEU . 12.1 mt -52.57 -70.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -43.51 -62.29 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.52 -60.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -46.35 -42.46 14.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.54 -26.67 2.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.3 m -54.18 -44.2 71.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -51.26 -70.09 0.96 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.04 5.43 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -44.25 126.86 5.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.2 163.32 30.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m 57.75 -92.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.05 91.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.01 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.8 -166.74 22.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.4 p -108.32 94.92 5.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -80.69 -57.24 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.55 89.26 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -27.98 63.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 0.747 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -95.53 -48.64 5.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -40.44 -62.99 1.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.539 1.149 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.22 -51.62 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -56.5 -60.56 3.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.93 -54.75 9.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' NE ' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -51.0 -52.23 44.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.426 ' NE ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -168.93 155.09 6.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.263 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.04 -58.22 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -76.76 130.93 38.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.93 -59.58 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.031 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -169.03 97.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.1 t -90.18 -56.75 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -61.72 2.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.45 -66.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.158 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -42.03 -53.9 3.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.2 t60 -42.99 -56.83 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.618 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -45.63 -45.14 13.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mt 62.52 133.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -48.49 147.94 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -47.18 -54.23 11.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.25 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.0 mt -51.92 -68.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.83 -57.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -41.44 -59.97 1.43 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -40.3 -63.32 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -52.86 -47.08 68.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -52.47 -59.78 4.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.806 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.3 m-85 -59.5 -34.33 72.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -22.66 66.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 83.0 m -94.38 -18.81 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.261 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.568 HD11 ' HG3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -86.1 -58.55 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' LEU . 55.7 t0 -39.68 -55.07 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -52.21 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.56 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.4 ttp -49.8 -21.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.568 ' HG3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -67.72 -53.67 25.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.66 -16.82 4.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.346 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 91.5 t -91.48 -74.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.826 HD13 HG11 ' A' ' 72' ' ' VAL . 1.2 mp -92.2 -36.31 13.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.75 -31.06 0.04 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.4 t0 -39.71 -56.21 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.19 -37.28 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG11 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -70.33 143.44 90.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.69 ' HD2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.31 -48.32 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' ILE . 2.5 m-20 -43.48 -63.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.69 HD12 ' HD2' ' A' ' 50' ' ' PRO . 11.7 mt -39.42 -57.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.611 HD21 HG11 ' A' ' 49' ' ' VAL . 55.8 mt -57.87 -56.46 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.927 ' O ' HD22 ' A' ' 59' ' ' LEU . 13.0 m -46.98 -55.4 8.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.448 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -51.76 -43.72 63.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.59 -43.26 75.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.876 HG23 ' HA ' ' A' ' 63' ' ' PHE . 8.4 mt -58.35 -56.34 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -63.69 -14.23 50.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -77.25 -16.29 59.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.536 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.1 m-70 -139.19 30.34 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.574 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER 39.41 66.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.876 ' HA ' HG23 ' A' ' 58' ' ' ILE . 15.7 m-85 55.78 89.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.29 83.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.595 HG12 HD12 ' A' ' 69' ' ' LEU . 93.1 t -55.75 -54.08 30.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -34.44 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -52.36 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.29 -35.77 12.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.369 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 65' ' ' VAL . 4.6 mt -73.32 -51.65 16.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -53.38 -28.34 28.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 72.0 t -92.12 -50.24 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.826 HG11 HD13 ' A' ' 45' ' ' LEU . 14.9 t -53.89 -37.21 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -57.42 7.1 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.08 -50.24 74.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -46.29 -34.51 4.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -56.96 -39.88 75.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -93.5 -39.14 5.11 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -63.39 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.998 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.78 -68.73 0.51 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.532 1.145 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 62.92 5.93 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.53 109.05 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.07 154.27 19.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.37 97.89 5.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.005 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -132.42 110.02 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.12 -155.95 26.92 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.99 -60.43 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.753 . . . . 0.0 110.039 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 t 75.72 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.03 89.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.38 -50.27 7.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.727 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -66.84 -49.41 65.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -49.82 -65.21 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -37.71 -51.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 111.04 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.11 -59.27 3.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.99 -53.53 19.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tp -44.15 -51.82 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 65.46 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -70.53 83.84 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.48 146.82 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.6 p -90.89 -59.17 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' OD1' HD13 ' A' ' 22' ' ' LEU . 3.9 m-20 57.68 92.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.93 -59.2 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.021 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mt -73.64 -55.69 5.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD13 ' OD1' ' A' ' 19' ' ' ASN . 4.0 mp -45.3 -62.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -51.13 -59.66 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -40.57 -47.36 2.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.596 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -43.06 -48.03 6.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.677 HD22 ' HB3' ' A' ' 30' ' ' ASP . 10.7 mt 57.69 108.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -48.46 154.53 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.71 -30.2 21.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.38 -71.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.677 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.4 m-20 -47.17 -54.28 11.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.03 -59.05 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.15 -65.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -45.69 -50.52 13.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.12 -59.75 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -47.22 -48.59 24.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.7 t -52.64 -24.15 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.814 ' SG ' HG22 ' A' ' 65' ' ' VAL . 4.2 t -93.97 -67.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 108.305 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.719 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -39.02 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 38' ' ' LEU . 25.4 t0 -36.95 -59.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 42' ' ' ARG . 85.1 t60 -52.84 -75.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.953 ' SD ' HD22 ' A' ' 54' ' ' LEU . 4.9 ttm -42.3 -26.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.719 ' HD2' HD22 ' A' ' 38' ' ' LEU . 1.8 ttt180 -59.7 -53.1 61.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.7 -16.67 4.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG12 ' HG ' ' A' ' 45' ' ' LEU . 77.0 t -92.4 -74.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 HD13 HG11 ' A' ' 72' ' ' VAL . 1.6 mp -92.15 -35.87 13.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.08 -32.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -42.17 -53.64 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.46 -52.55 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.405 HG13 ' HD2' ' A' ' 50' ' ' PRO . 1.4 t -61.33 141.41 94.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.11 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.61 ' HA ' HD21 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -88.66 -53.22 4.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.2 m-20 -39.22 -60.61 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.5 mt -41.74 -56.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.953 HD22 ' SD ' ' A' ' 41' ' ' MET . 35.6 mt -60.56 -55.53 32.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.962 ' O ' HD22 ' A' ' 59' ' ' LEU . 2.8 m -43.11 -52.47 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.2 mm-40 -51.95 -54.43 29.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -44.23 -50.64 8.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.812 HG23 ' HA ' ' A' ' 63' ' ' PHE . 28.8 mt -52.31 -61.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.962 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.26 -14.12 35.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.49 -14.56 60.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.633 ' NE2' HG21 ' A' ' 71' ' ' VAL . 56.4 m-70 -144.39 32.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.631 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.43 66.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.812 ' HA ' HG23 ' A' ' 58' ' ' ILE . 46.4 m-85 57.65 98.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -167.86 74.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.814 HG22 ' SG ' ' A' ' 37' ' ' CYS . 63.2 t -40.31 -55.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -41.41 -57.51 2.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 1.1 mmtp -67.44 -60.46 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -39.63 -43.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.568 HD12 HG12 ' A' ' 65' ' ' VAL . 11.9 mt -72.47 -52.62 15.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.94 -31.62 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.034 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.633 HG21 ' NE2' ' A' ' 61' ' ' HIS . 38.2 t -92.14 -49.33 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 68' ' ' ALA . 23.2 t -56.87 -18.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' LEU . 46.6 mt -89.26 -53.46 4.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -62.64 -14.08 39.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -36.2 79.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -65.87 -52.81 47.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -45.12 -27.6 1.66 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.0 t -51.57 -45.91 63.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.973 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.59 -71.72 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 72.87 4.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.7 p -142.5 116.64 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.3 p -110.88 127.4 55.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.044 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 t -106.42 154.36 20.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 110.0 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 m -109.97 -58.26 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.36 -59.7 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 p -42.26 160.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.956 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 m 60.25 165.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.24 69.27 0.51 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.14 -24.92 22.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -50.9 -35.33 32.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -44.68 -59.66 4.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -38.26 -60.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -45.23 -60.35 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.88 -60.55 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.43 -46.47 26.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -47.69 -57.72 5.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.308 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 63.87 176.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.26 130.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -51.2 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 m120 60.28 115.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -49.66 -49.37 47.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 ' O ' ' CB ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -44.55 -67.1 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.272 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.5 mt -51.51 -56.28 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -44.34 -41.72 6.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.25 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' CB ' ' O ' ' A' ' 21' ' ' LEU . 33.0 t60 -42.05 -53.0 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.613 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -82.18 -22.95 35.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 HD22 ' CB ' ' A' ' 30' ' ' ASP . 5.5 mt 63.6 120.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -54.13 139.26 35.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.87 -52.03 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.6 mt -44.34 -63.99 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.426 ' CB ' HD22 ' A' ' 26' ' ' LEU . 65.5 m-20 -51.85 -58.21 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -41.33 -59.76 1.46 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.9 -46.87 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -64.22 -59.73 4.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD22 HD13 ' A' ' 58' ' ' ILE . 2.3 tm? -40.61 -53.45 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.18 -39.15 92.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.0 -22.91 67.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 82.5 m -94.87 -15.27 23.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.477 HD12 ' HG2' ' A' ' 42' ' ' ARG . 1.4 tp -93.21 -59.37 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -46.78 -40.7 14.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -62.5 -53.56 52.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.603 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -70.08 -13.81 62.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 46' ' ' GLY . 1.4 mmm180 -74.32 -51.07 16.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -15.71 4.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.448 HG12 ' HG ' ' A' ' 45' ' ' LEU . 97.2 t -91.98 -74.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -94.5 -33.38 13.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.44 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 20.7 m-20 -39.17 -53.72 1.84 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.47 -43.13 3.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.704 HG13 ' HD2' ' A' ' 50' ' ' PRO . 76.8 t -66.45 143.43 98.22 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.704 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -52.43 4.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 -64.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -39.57 -63.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 52.2 mt -52.15 -50.87 60.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.889 ' HA ' HD12 ' A' ' 58' ' ' ILE . 20.0 m -50.34 -62.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.418 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' LYS . 5.9 mt-10 -39.07 -52.99 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -44.86 -50.81 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.889 HD12 ' HA ' ' A' ' 55' ' ' THR . 10.6 mt -51.24 -61.7 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.571 ' N ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -62.7 -14.17 40.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -76.14 -21.69 56.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' NE2' HG21 ' A' ' 71' ' ' VAL . 44.4 m-70 -136.91 34.15 2.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.32 73.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.873 ' HA ' HG23 ' A' ' 58' ' ' ILE . 11.9 m-85 50.65 88.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.64 73.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.685 HG12 HD12 ' A' ' 69' ' ' LEU . 75.0 t -45.39 -54.54 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -39.75 -48.45 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.5 tptt -78.15 -58.31 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.652 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.29 -37.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.077 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.685 HD12 HG12 ' A' ' 65' ' ' VAL . 6.5 mt -74.07 -52.94 11.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.93 -28.04 15.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.006 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG21 ' NE2' ' A' ' 61' ' ' HIS . 95.3 t -92.27 -49.22 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 68' ' ' ALA . 10.3 t -55.09 -44.37 74.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 73' ' ' LEU . 8.2 mt -48.21 -62.74 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -54.18 -60.45 3.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -41.43 -48.09 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -68.42 -54.05 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.82 -27.7 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -45.16 82.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.02 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -44.8 -69.72 0.7 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 72.29 4.66 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.4 p -66.91 128.14 35.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.0 p -105.94 118.3 36.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.97 118.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 110.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -58.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.17 -112.09 0.4 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.85 150.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 0.785 . . . . 0.0 110.058 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.49 146.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.052 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.22 103.59 0.75 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -59.62 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -84.56 -51.18 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.498 ' O ' HD13 ' A' ' 14' ' ' LEU . . . -39.02 -58.53 1.88 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -39.08 -56.69 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -45.39 -57.35 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.89 -52.34 65.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 10' ' ' GLY . 11.1 mp -43.42 -44.92 6.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 60.47 158.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -46.16 -47.21 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.72 61.16 6.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.55 ' HB3' HD22 ' A' ' 22' ' ' LEU . 8.0 t -88.21 -62.45 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.038 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -161.53 169.37 21.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -49.35 -42.4 41.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.78 -49.31 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 18' ' ' SER . 0.3 OUTLIER -68.3 -60.18 2.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -44.66 -45.16 9.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -48.69 -56.02 9.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -50.52 -24.89 3.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.5 mt 50.63 -171.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.5 p -108.26 146.35 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -39.47 -57.58 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -51.18 -59.93 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 31' ' ' GLN . 93.4 m-20 -50.67 -57.08 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -38.95 -57.09 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.38 -62.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -47.41 -49.1 25.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.575 HD21 ' OG1' ' A' ' 55' ' ' THR . 0.8 OUTLIER -54.99 -70.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -45.9 -38.95 8.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 p -54.64 -27.33 38.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' SG ' HG23 ' A' ' 65' ' ' VAL . 8.7 m -93.32 -52.53 4.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 108.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.78 HD23 ' NE ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -44.05 -50.23 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' LEU . 18.8 t70 -39.94 -29.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.454 ' N ' ' C ' ' A' ' 38' ' ' LEU . 83.9 t60 -84.95 -76.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.567 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -47.54 -22.65 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.78 ' NE ' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -65.65 -26.53 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -92.89 -12.9 29.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.32 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.4 t -90.31 -73.77 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.789 HD13 HG11 ' A' ' 72' ' ' VAL . 1.2 mp -97.03 -31.97 12.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -37.17 -30.83 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -40.0 -54.39 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.54 -45.56 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 1.6 t -63.41 138.9 97.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -161.79 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -85.28 -54.96 4.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' ASP . 17.9 m-20 -38.74 -63.17 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER -39.62 -52.68 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.4 -58.41 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.579 ' HA ' HD12 ' A' ' 58' ' ' ILE . 1.2 m -42.0 -47.53 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 59' ' ' LEU . 1.2 mm-40 -55.01 -62.34 1.72 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.87 -46.71 2.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.867 HG23 ' HA ' ' A' ' 63' ' ' PHE . 26.4 mt -56.51 -50.92 70.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -70.93 -14.01 62.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.49 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -76.02 -22.08 56.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 5.0 m-70 -135.69 31.18 3.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.58 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' CE ' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.92 65.74 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.867 ' HA ' HG23 ' A' ' 58' ' ' ILE . 24.5 m-85 56.99 90.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 65' ' ' VAL . 12.9 t0 -156.84 64.54 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.312 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.568 HG23 ' SG ' ' A' ' 37' ' ' CYS . 25.2 t -38.98 -57.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -38.64 -44.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.341 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.68 ' HD3' HG23 ' A' ' 71' ' ' VAL . 2.1 tmtt? -83.92 -55.91 3.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -42.4 -38.13 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 HD11 ' A' ' 45' ' ' LEU . 3.9 mt -73.43 -44.98 57.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -60.43 -27.89 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.006 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HD3' ' A' ' 67' ' ' LYS . 88.8 t -92.11 -46.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.789 HG11 HD13 ' A' ' 45' ' ' LEU . 27.7 t -59.07 -46.81 91.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.33 -59.61 4.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.08 -48.38 73.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.99 -50.38 69.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' OD2' HD23 ' A' ' 45' ' ' LEU . 6.2 t0 -48.24 -40.42 24.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -82.76 -25.6 49.23 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.8 t -55.78 -57.87 10.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 0.732 . . . . 0.0 109.989 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.43 -70.5 0.33 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.14 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.88 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.5 m 60.01 82.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.509 1.131 . . . . 0.0 110.931 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -129.92 159.9 35.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.87 159.23 25.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.53 146.66 0.5 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.582 1.177 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -171.68 -57.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -113.01 -55.55 2.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.72 98.15 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -80.64 -56.24 4.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -39.78 -49.98 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.24 -62.82 5.26 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -43.2 -39.95 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.44 -55.07 6.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -47.28 -25.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.39 -37.66 5.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -45.9 169.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -158.16 108.45 2.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.7 m -53.38 140.08 28.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.7 p -82.59 -54.41 5.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -151.9 162.86 40.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -44.27 -47.47 9.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -47.8 -65.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tp -41.04 -57.4 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 109.318 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -49.29 -52.32 28.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -43.05 -59.58 1.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.552 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -43.1 -35.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.3 mt 52.32 179.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -104.39 156.17 18.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.05 -66.33 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -41.45 -66.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.369 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 33' ' ' ARG . 67.2 m-20 -40.88 -64.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.49 -59.46 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.33 -36.89 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -71.67 -45.43 61.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.872 HD11 HG23 ' A' ' 55' ' ' THR . 0.3 OUTLIER -57.23 -59.95 4.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -49.24 -34.69 15.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.59 -27.64 50.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.794 ' SG ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -83.29 -33.61 25.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 108.27 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD11 ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -60.04 -74.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -36.6 -31.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.597 ' O ' HG23 ' A' ' 44' ' ' VAL . 36.2 t60 -81.42 -75.77 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.533 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -49.61 -53.52 23.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -43.7 -58.1 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 0.4 OUTLIER -50.75 -22.15 1.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 40' ' ' HIS . 19.8 t -91.68 -75.71 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.917 HD13 HG11 ' A' ' 72' ' ' VAL . 1.1 mp -83.81 -41.62 17.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.43 -31.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -47.16 -42.15 19.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.8 -53.18 2.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.018 HG21 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -72.11 157.57 89.15 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.622 ' HG2' HD13 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.03 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.552 ' CB ' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -93.33 -44.1 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 53' ' ' ILE . 1.0 OUTLIER -55.1 -60.08 3.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.622 HD13 ' HG2' ' A' ' 50' ' ' PRO . 1.4 mp -39.84 -37.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.018 HD21 HG21 ' A' ' 49' ' ' VAL . 54.9 mt -77.83 -53.13 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.969 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.8 m -47.36 -44.12 23.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.89 -46.75 78.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' CB ' HG23 ' A' ' 72' ' ' VAL . . . -52.47 -45.14 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.946 HD12 ' HA ' ' A' ' 55' ' ' THR . 10.2 mt -54.1 -57.37 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -66.29 -14.47 62.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.494 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.55 -23.74 61.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.761 ' NE2' HG21 ' A' ' 71' ' ' VAL . 36.0 m-70 -137.01 33.83 2.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 109.604 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.46 73.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.831 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.3 m-85 49.71 90.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -160.4 72.12 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.794 HG22 ' SG ' ' A' ' 37' ' ' CYS . 56.7 t -41.73 -56.84 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.89 -40.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 61' ' ' HIS . 0.7 OUTLIER -88.66 -54.75 4.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -44.76 -39.52 5.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.722 HD23 HD11 ' A' ' 45' ' ' LEU . 3.6 mt -71.14 -60.65 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.0 t -45.82 -31.78 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.761 HG21 ' NE2' ' A' ' 61' ' ' HIS . 94.4 t -86.72 -51.55 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.917 HG11 HD13 ' A' ' 45' ' ' LEU . 3.8 t -52.26 -47.83 44.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.8 mt -56.37 -63.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -57.84 5.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -40.6 -60.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -40.77 -42.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.43 -42.34 14.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.17 -66.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 0.801 . . . . 0.0 110.042 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -88.02 -71.88 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -176.76 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.0 p 174.31 114.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.6 m 66.58 169.54 0.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 62.96 158.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -76.65 162.63 27.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.66 76.26 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -169.83 119.61 0.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 110.023 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 p -153.37 106.08 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.001 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.31 64.65 1.61 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -62.87 -59.06 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 110.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -53.12 -51.63 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.84 -61.35 1.36 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 18' ' ' SER . 3.6 t80 -43.63 -52.08 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -40.48 -57.98 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.07 -51.89 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.46 -52.06 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.67 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -174.87 69.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.4 m 40.23 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 6.5 t -48.76 -60.19 2.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.5 t30 176.66 167.82 0.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.3 m -48.36 -56.55 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -41.51 -63.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD13 ' CB ' ' A' ' 18' ' ' SER . 0.6 OUTLIER -42.04 -59.73 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -40.66 -50.91 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 t60 -62.84 -55.72 23.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -42.27 -39.49 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 59' ' ' LEU . 8.1 mt 60.96 149.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -87.35 144.77 26.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.006 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -39.39 -58.95 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -40.49 -55.17 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' ALA . 58.3 m-20 -66.17 -57.01 8.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -38.7 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -73.83 -63.86 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 63' ' ' PHE . 1.1 ptm85 -55.47 -18.36 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.413 ' HA ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -81.14 -37.81 28.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -64.62 -9.09 17.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -94.9 -21.33 18.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.954 ' SG ' HD13 ' A' ' 58' ' ' ILE . 31.0 p -96.31 -39.72 9.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -61.96 -73.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' C ' ' O ' ' A' ' 38' ' ' LEU . 58.2 t0 -36.49 -41.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.566 ' O ' HG23 ' A' ' 44' ' ' VAL . 14.0 t60 -57.56 -71.05 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.594 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.643 ' SD ' HD22 ' A' ' 54' ' ' LEU . 2.1 ttm -58.45 -34.23 70.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.05 -59.04 5.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -18.04 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 40' ' ' HIS . 69.0 t -91.28 -74.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 47' ' ' ASP . 2.7 mp -88.99 -40.06 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -31.59 0.05 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 45' ' ' LEU . 14.3 m-20 -47.12 -41.51 17.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.774 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.56 -53.32 2.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.059 HG21 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -72.51 159.28 85.78 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -167.3 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.782 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -54.75 3.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ILE . 27.3 m-20 -40.42 -64.19 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.7 mt -38.19 -58.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.059 HD21 HG21 ' A' ' 49' ' ' VAL . 47.4 mt -56.78 -52.44 65.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.448 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -45.73 -60.38 2.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' LEU . 2.2 mt-10 -43.13 -55.47 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -42.29 -47.7 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.954 HD13 ' SG ' ' A' ' 37' ' ' CYS . 5.3 mt -63.0 -41.81 94.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.618 HD11 HD11 ' A' ' 26' ' ' LEU . 3.4 mm? -71.05 -13.78 62.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 2.2 tpmt? -82.81 -14.52 54.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.468 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.8 m-70 -133.68 25.65 4.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 38.62 65.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.848 ' HA ' HG23 ' A' ' 58' ' ' ILE . 28.0 m-85 60.89 93.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' VAL . 8.3 t0 -162.88 64.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 40' ' ' HIS . 53.5 t -40.03 -56.05 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -38.78 -49.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -78.18 -57.71 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.66 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -41.06 -39.52 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.2 mt -73.31 -49.71 26.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.48 -29.55 36.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.6 t -92.19 -48.23 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 68' ' ' ALA . 7.3 t -53.64 -41.06 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.79 -60.11 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.1 -54.4 39.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.27 -57.41 4.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -60.21 -43.53 95.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.12 -27.69 11.3 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.511 1.132 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 t -52.22 -46.99 65.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.81 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.65 -71.49 0.52 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.53 9.39 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.5 m -89.04 106.34 18.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.4 t -112.82 91.04 3.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -165.17 157.95 16.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 0.767 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -128.38 163.29 25.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.97 -147.46 20.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 p -149.05 143.93 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.72 153.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.95 62.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.69 -58.13 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 0.799 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -39.33 -51.11 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -41.74 -64.84 1.32 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.541 1.151 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.12 -53.25 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.67 -58.94 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.75 -54.81 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD23 ' C ' ' A' ' 14' ' ' LEU . 6.2 tt -45.12 -50.99 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.93 158.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 62.83 137.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 p -123.68 147.16 47.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.08 -57.87 2.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.3 164.92 22.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 p -46.62 -51.22 16.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 mt -45.61 -66.39 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.24 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -47.25 -40.85 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -48.7 59.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.88 -31.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.531 HD13 HD22 ' A' ' 34' ' ' LEU . 60.6 mt 50.98 91.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -48.24 162.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -26.01 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.64 -68.74 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -45.81 -52.2 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -43.88 -57.08 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.31 -59.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.63 -49.87 75.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 55' ' ' THR . 0.5 OUTLIER -49.41 -63.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -50.77 24.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.67 -24.64 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.982 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 35.4 m -94.54 -60.91 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.082 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.804 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -42.12 -61.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 38' ' ' LEU . 5.0 t0 -36.85 -33.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 t60 -69.45 -75.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.594 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.403 ' HE1' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -49.49 -20.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.501 ' HA ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -78.93 -43.18 25.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -60.98 -25.68 67.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.727 HG22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -94.16 -75.04 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.749 HD13 HG11 ' A' ' 72' ' ' VAL . 1.4 mp -75.3 -50.16 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -36.74 -31.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.7 t70 -48.13 -44.95 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -48.39 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.038 HG21 HD21 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -73.77 158.52 85.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.0 -167.74 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.78 -55.59 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ILE . 67.6 m-20 -40.48 -63.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' ASP . 11.8 mt -37.73 -51.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.038 HD21 HG21 ' A' ' 49' ' ' VAL . 37.3 mt -65.65 -53.97 34.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.936 ' O ' HD22 ' A' ' 59' ' ' LEU . 58.9 m -44.31 -51.61 8.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 60' ' ' LYS . 2.3 mt-10 -50.71 -48.34 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -49.02 -47.47 44.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.813 HG23 ' HA ' ' A' ' 63' ' ' PHE . 11.8 mt -55.73 -57.1 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 55' ' ' THR . 0.3 OUTLIER -65.2 -14.27 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -74.63 -17.84 60.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.433 ' NE2' HG21 ' A' ' 71' ' ' VAL . 34.1 m-70 -141.09 31.45 1.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 109.634 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.43 67.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.813 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.5 m-85 56.42 94.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 67' ' ' LYS . 18.0 t0 -163.26 64.82 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.505 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 51.0 t -41.69 -56.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.13 -35.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 32.5 tptt -94.1 -51.16 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.16 -36.88 14.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.19 -57.18 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -27.17 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.433 HG21 ' NE2' ' A' ' 61' ' ' HIS . 93.4 t -90.42 -39.15 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.749 HG11 HD13 ' A' ' 45' ' ' LEU . 18.1 t -68.99 -14.66 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.81 -34.65 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -83.86 -12.32 55.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -95.0 -26.29 16.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -71.25 -50.83 28.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.67 -22.38 5.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.8 t -58.72 -41.87 87.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.75 -70.55 0.66 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -169.92 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.443 1.76 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.9 t 47.21 80.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.04 -58.5 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -81.39 131.53 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -158.5 137.35 11.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.5 -165.8 12.7 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.95 158.62 16.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 109.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.11 -59.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.7 68.3 1.42 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 9' ' ' TYR . 12.3 pt-20 -67.47 -48.07 68.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.404 ' N ' ' CG ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -37.89 -54.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.62 -60.85 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.552 1.158 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' CE1' HD12 ' A' ' 22' ' ' LEU . 13.2 t80 -38.79 -50.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.65 -58.31 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -41.59 -45.57 3.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 15' ' ' ARG . 1.9 mm? -58.98 -52.06 67.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.49 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 3.2 ptt-85 44.79 -168.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 39.27 69.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.271 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.15 114.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.93 -58.23 3.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.2 104.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.52 -53.57 3.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 mp -43.0 -58.94 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.407 HD12 ' CE1' ' A' ' 11' ' ' TYR . 3.4 mm? -44.84 -54.27 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.71 -44.6 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -51.75 -69.01 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.63 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -57.29 -23.96 51.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 26' ' ' LEU . 4.5 mt 63.46 112.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -40.7 146.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.057 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -47.95 -46.17 31.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -47.28 -69.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.55 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -39.16 -58.94 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.38 -54.51 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 mtt-85 -58.85 -55.84 29.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -42.6 -58.27 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.61 -56.45 4.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.6 t -48.29 -24.48 1.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.971 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' HG23 ' A' ' 65' ' ' VAL . 6.3 m -94.12 -52.79 4.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.249 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.686 HD22 ' HD2' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -52.29 -60.0 3.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.338 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -36.71 -60.69 0.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CD2' HD11 ' A' ' 69' ' ' LEU . 20.4 t60 -39.46 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.543 ' HG2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -52.16 -39.53 60.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.686 ' HD2' HD22 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.47 -10.21 32.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -82.66 -48.23 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -95.18 -53.13 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.69 ' CD2' HG11 ' A' ' 72' ' ' VAL . 6.2 mp -72.42 -51.9 18.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.87 -35.09 0.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.76 -56.81 2.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.11 -52.92 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.718 HG13 ' HD2' ' A' ' 50' ' ' PRO . 79.7 t -60.44 143.3 89.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.718 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -75.07 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 1.8 p-10 -92.38 -58.21 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.7 t0 -39.36 -66.56 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.8 mt -39.9 -46.25 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' HB2' HD21 ' A' ' 38' ' ' LEU . 74.9 mt -66.31 -54.34 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.873 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.3 m -48.11 -52.44 20.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -47.45 -53.72 13.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -46.38 -49.95 17.19 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 55' ' ' THR . 11.1 mt -52.44 -60.36 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -63.12 -14.25 46.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -72.94 -23.28 60.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' LYS . 36.6 m-70 -137.53 33.9 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.631 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.414 ' HE2' ' CD1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.3 68.09 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.825 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.0 m-85 56.11 92.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 8.7 t0 -159.46 60.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 69' ' ' LEU . 54.9 t -40.16 -59.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 65' ' ' VAL . 1.2 mt-30 -37.32 -36.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.261 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 26.8 tptt -93.4 -53.46 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -46.52 -35.64 5.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -65.78 -74.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.9 t -44.53 -34.79 2.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.6 t -75.22 -40.84 43.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 68' ' ' ALA . 3.8 t -68.64 -45.6 81.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 mp -46.49 -54.77 8.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -63.9 -48.48 76.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.32 -53.21 47.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -61.4 -49.55 76.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.83 -29.08 0.49 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t -59.31 -43.54 92.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 76' ' ' ASP . . . -45.31 -70.34 0.64 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.35 4.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 p -159.1 -55.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.965 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.7 m -102.12 -57.54 2.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p 48.53 87.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 109.973 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.58 156.8 16.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.055 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.73 -155.19 11.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.9 m 44.0 84.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.76 . . . . 0.0 110.005 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.13 168.57 9.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.73 52.5 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.94 -24.17 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -63.73 -54.61 32.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.83 -63.44 1.03 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.77 -65.99 0.39 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.27 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -45.43 -39.85 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.72 -52.12 57.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.75 127.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -160.34 90.63 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 t -173.07 102.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.4 p -80.53 -56.78 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -137.07 157.23 47.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -73.99 -53.5 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.9 -62.97 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -41.07 -64.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -46.26 -56.95 5.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 -44.64 -54.81 5.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -42.76 -34.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt 60.37 152.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -83.04 155.49 23.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -55.03 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -53.88 -62.6 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.46 -49.15 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -54.21 -63.04 1.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -42.29 -51.66 4.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 37' ' ' CYS . 37.9 mtt180 -53.63 -60.54 3.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 34' ' ' LEU . 3.3 tm? -39.85 -56.99 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -62.5 -44.05 97.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.86 -23.06 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.729 ' SG ' HG23 ' A' ' 65' ' ' VAL . 8.8 m -94.75 -60.47 1.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.866 HD22 ' HG3' ' A' ' 42' ' ' ARG . 0.2 OUTLIER -41.16 -65.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' LEU . 6.3 t70 -34.98 -35.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.615 ' CD2' HG11 ' A' ' 65' ' ' VAL . 17.0 t60 -63.41 -69.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.98 -21.21 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.866 ' HG3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -75.77 -20.32 58.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.51 -29.26 16.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.543 ' HB ' HD12 ' A' ' 45' ' ' LEU . 45.2 t -94.4 -50.93 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.777 ' CD2' HG11 ' A' ' 72' ' ' VAL . 2.5 mp -92.72 -54.25 3.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -37.1 -30.46 0.04 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 45' ' ' LEU . 64.8 m-20 -44.03 -46.14 8.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.9 -53.38 2.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.104 HG21 HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -69.46 160.33 79.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -164.21 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.536 1.808 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HB3' ' NE ' ' A' ' 42' ' ' ARG . 1.5 p-10 -94.2 -59.12 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.4 OUTLIER -39.59 -64.6 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.451 ' C ' ' O ' ' A' ' 52' ' ' ASP . 8.4 mt -36.78 -45.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.104 HD21 HG21 ' A' ' 49' ' ' VAL . 43.6 mt -73.96 -54.39 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.709 ' OG1' HD11 ' A' ' 38' ' ' LEU . 91.0 m -43.09 -43.08 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.372 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' A' ' 59' ' ' LEU . 2.0 mt-10 -61.2 -54.33 45.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.77 -45.05 7.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.805 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.1 mt -57.38 -55.27 21.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.596 1.185 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -65.81 -14.27 61.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -73.06 -17.6 61.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 11.1 m-70 -140.32 32.45 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.634 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.548 ' CE ' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.91 63.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.805 ' HA ' HG23 ' A' ' 58' ' ' ILE . 28.6 m-85 60.91 90.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -157.84 61.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.022 HG12 HD12 ' A' ' 69' ' ' LEU . 72.6 t -40.39 -55.42 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.1 -51.99 2.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.55 ' HG3' HG23 ' A' ' 71' ' ' VAL . 13.0 tptt -76.37 -57.77 3.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.691 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -40.95 -37.21 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.022 HD12 HG12 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -67.35 -66.35 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -50.62 -33.0 20.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.025 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.55 HG23 ' HG3' ' A' ' 67' ' ' LYS . 54.5 t -77.73 -41.07 28.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.777 HG11 ' CD2' ' A' ' 45' ' ' LEU . 5.8 t -68.23 -48.32 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 69' ' ' LEU . 5.3 mp -44.05 -54.52 5.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.12 -49.88 70.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.1 -64.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -48.17 -41.61 27.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -43.62 -26.66 0.74 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 m -59.29 -42.34 91.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 0.748 . . . . 0.0 109.969 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.19 -70.82 0.63 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.26 9.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.44 123.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 0.0 109.962 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.91 167.18 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.01 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.8 109.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.03 118.37 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.03 69.31 0.29 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.137 . . . . 0.0 111.029 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -118.84 124.99 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 m -128.39 109.94 11.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.98 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 9' ' ' TYR . . . -111.96 116.35 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.85 -30.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 0.775 . . . . 0.0 110.333 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' N ' ' C ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -45.28 -57.73 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.963 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -38.06 -50.94 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -39.35 -49.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 13' ' ' ASP . 7.8 pt-20 -90.92 -34.35 15.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 18.2 t0 -44.04 -38.08 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 22.6 tp -72.76 -50.72 22.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.9 162.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.25 147.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.88 122.64 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.1 t -84.4 -57.18 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.99 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -170.68 165.94 8.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -58.03 9.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.4 tp -45.57 -63.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.74 -64.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -43.9 -50.79 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t60 -43.49 -50.65 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.594 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.34 -40.73 17.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 30' ' ' ASP . 13.0 mt 61.9 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -79.97 160.28 25.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -49.53 -46.34 48.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mt -68.34 -60.29 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.771 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -40.87 -58.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -40.92 -58.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.1 -69.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -48.12 -45.51 33.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.873 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -56.34 -67.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.873 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.5 m-85 -53.23 -38.17 62.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -59.98 -25.56 65.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.8 m -94.81 -24.9 16.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.91 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -78.66 -56.58 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -37.88 -32.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 83.4 t60 -67.37 -67.1 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.502 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.18 -13.3 11.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 38' ' ' LEU . 7.8 ttt180 -80.64 -35.81 33.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.74 -24.46 53.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.502 ' HB ' HD12 ' A' ' 45' ' ' LEU . 69.6 t -94.98 -54.02 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.74 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.9 OUTLIER -95.22 -54.12 3.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 42' ' ' ARG . . . -36.26 -31.27 0.04 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.7 m-20 -39.26 -44.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.47 -53.55 2.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 1.075 HG21 HD21 ' A' ' 54' ' ' LEU . 1.1 m -70.03 161.38 75.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' O ' ' HG ' ' A' ' 54' ' ' LEU . 18.4 Cg_endo -74.94 -163.67 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.72 -58.16 2.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' ILE . 3.8 t70 -39.7 -65.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.3 mt -35.93 -46.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.075 HD21 HG21 ' A' ' 49' ' ' VAL . 32.9 mt -70.26 -53.55 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.94 ' O ' HD22 ' A' ' 59' ' ' LEU . 21.7 m -45.03 -48.15 11.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.35 -50.1 68.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.6 -45.91 19.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.797 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.6 mt -56.54 -58.98 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.94 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -61.84 -14.69 35.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -75.21 -18.5 60.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 9.5 m-70 -137.47 30.39 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.9 68.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.797 ' HA ' HG23 ' A' ' 58' ' ' ILE . 5.1 m-85 54.11 92.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 67' ' ' LYS . 16.9 t0 -160.91 60.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.915 HG12 HD12 ' A' ' 69' ' ' LEU . 96.0 t -41.66 -54.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.54 -38.24 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 64' ' ' ASP . 29.3 tptt -88.17 -51.12 5.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.681 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -49.37 -34.85 17.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.915 HD12 HG12 ' A' ' 65' ' ' VAL . 3.1 mt -73.56 -34.1 65.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' LYS . 0.5 OUTLIER -74.0 -26.61 60.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 75.1 t -92.31 -48.12 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 68' ' ' ALA . 55.8 t -57.86 -44.6 86.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 69' ' ' LEU . 15.3 mt -47.6 -57.44 5.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.54 -50.32 74.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -51.7 -59.69 4.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.299 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.44 -26.96 67.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.61 -24.24 1.68 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -65.41 -43.73 89.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -41.93 -70.19 0.48 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.097 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 110.2 3.07 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.1 p -93.02 107.35 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 109.989 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.3 p -87.16 82.19 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.018 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -105.8 107.24 18.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.985 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -133.01 -58.85 0.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.66 -66.51 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.503 ' HA ' ' CG ' ' A' ' 9' ' ' TYR . 68.2 m 49.62 97.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 0.788 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 p -159.12 103.1 1.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.43 -114.97 5.08 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.544 1.152 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -40.04 -46.8 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.503 ' CG ' ' HA ' ' A' ' 5' ' ' SER . 6.0 m-85 -56.71 -52.03 66.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.19 -59.13 11.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.576 1.172 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -39.02 -52.13 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.2 -59.35 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.67 -55.26 9.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.65 -52.81 36.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.56 133.13 2.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.75 168.26 6.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 p -117.82 123.85 46.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -63.0 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 174.25 -52.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.5 t -63.5 -54.72 31.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 mt -52.03 -64.12 0.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.47 -53.68 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -49.7 -61.78 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -45.22 -50.63 11.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -48.67 -54.35 15.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' A' ' 30' ' ' ASP . 0.8 OUTLIER 64.31 96.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -40.9 152.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.16 -57.84 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.1 mt -53.15 -59.7 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.648 ' HB3' HD23 ' A' ' 26' ' ' LEU . 1.0 OUTLIER -45.12 -65.08 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' LEU . 2.6 mt-30 -38.14 -62.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' GLN . . . -37.96 -66.55 0.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 63' ' ' PHE . 21.8 mtt180 -42.44 -40.71 2.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD12 HG21 ' A' ' 58' ' ' ILE . 1.3 tt -72.46 -45.85 57.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -57.06 -36.69 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -63.04 -22.86 67.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 38' ' ' LEU . 91.2 m -94.39 -45.9 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 108.318 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -39.1 -71.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t0 -35.11 -63.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 44' ' ' VAL . 39.9 t60 -44.4 -70.28 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.582 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.846 ' SD ' HG23 ' A' ' 65' ' ' VAL . 1.3 ttp -57.24 -16.04 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.59 ' N ' ' O ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -71.89 -54.3 10.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -56.39 -15.55 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 40' ' ' HIS . 12.4 t -92.05 -74.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD13 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -95.49 -32.66 12.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -35.34 -33.77 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 45' ' ' LEU . 13.0 t0 -41.19 -60.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.24 -43.59 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.47 HG13 ' HD2' ' A' ' 50' ' ' PRO . 70.7 t -62.86 137.32 96.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.47 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.808 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -92.53 -50.09 5.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.14 -66.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -39.73 -44.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HB3' ' CE ' ' A' ' 41' ' ' MET . 33.0 mt -69.35 -47.96 62.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.703 HG22 HD11 ' A' ' 59' ' ' LEU . 92.6 m -50.94 -57.31 8.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' HA ' HD12 ' A' ' 59' ' ' LEU . 11.6 mt-10 -51.44 -63.42 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.43 -44.64 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.81 HG23 ' HA ' ' A' ' 63' ' ' PHE . 11.2 mt -57.3 -52.94 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.703 HD11 HG22 ' A' ' 55' ' ' THR . 1.4 mt -64.79 -13.42 55.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -84.55 -13.72 50.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.517 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 20.4 m-70 -136.91 28.95 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.81 79.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.81 ' HA ' HG23 ' A' ' 58' ' ' ILE . 5.8 m-85 40.05 93.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 67' ' ' LYS . 12.1 t0 -169.08 62.11 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.846 HG23 ' SD ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -43.43 -36.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -53.9 -39.64 65.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -92.74 -26.31 17.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' ' 65' ' ' VAL . . . -75.4 -22.98 57.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD23 HD11 ' A' ' 45' ' ' LEU . 5.8 mt -75.2 -45.25 41.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.8 m -57.25 -29.25 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.8 t -92.24 -49.53 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 45' ' ' LEU . 21.4 t -54.64 -31.63 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.1 mt -82.48 -51.26 7.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -51.76 -43.44 62.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -66.6 -60.64 2.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -51.13 -48.63 61.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -48.92 -29.84 8.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 t -55.3 -41.89 72.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.82 -71.92 0.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.434 1.084 . . . . 0.0 110.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 70.47 5.27 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.545 1.813 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 117.56 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.3 t -163.07 93.87 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.17 111.52 14.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 0.782 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.82 -58.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.61 89.77 1.97 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.142 . . . . 0.0 111.037 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -118.57 124.27 47.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -77.68 -59.09 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.0 -113.15 0.51 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' TYR . 7.2 tt0 -63.74 -62.28 1.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.456 0.739 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -36.75 -52.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -43.66 -67.44 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -39.19 -48.98 1.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.959 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.07 -55.16 31.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.29 -57.1 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -42.33 -52.43 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 57.36 106.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -139.26 173.33 11.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.296 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.6 t 69.99 -61.3 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.8 t -40.9 -59.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -41.42 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 -51.26 4.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' H ' HD12 ' A' ' 21' ' ' LEU . 5.1 mp -40.98 -56.02 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.8 tp -42.06 -61.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -40.97 -52.33 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -63.4 -51.08 67.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.579 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -42.24 -45.69 4.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -49.63 103.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -61.5 150.44 35.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -38.91 -46.59 1.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.464 HD13 ' HA ' ' A' ' 29' ' ' ILE . 3.7 mm -48.56 -67.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 29' ' ' ILE . 9.7 m-20 -55.63 -55.3 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -43.53 -52.09 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.7 -38.11 60.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.252 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -69.93 -59.46 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.814 HD22 HD13 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -42.91 -53.16 4.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -59.14 -41.3 87.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -22.8 63.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.829 ' SG ' HG22 ' A' ' 65' ' ' VAL . 2.0 t -94.37 -60.85 1.63 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 108.256 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.702 HD21 ' HA ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -38.31 -62.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -49.08 -50.97 34.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.456 ' CD2' HG11 ' A' ' 65' ' ' VAL . 11.8 t60 -58.0 -66.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.65 ' SD ' HD22 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -59.49 -10.97 3.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -84.31 -48.68 9.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.65 -22.62 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.749 HG22 ' N ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -96.16 -76.98 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.749 ' N ' HG22 ' A' ' 44' ' ' VAL . 1.7 mp -78.03 -41.75 34.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.523 ' CA ' ' O ' ' A' ' 42' ' ' ARG . . . -36.15 -32.0 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -40.43 -55.25 2.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 109.293 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.65 -51.32 2.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG13 ' HD2' ' A' ' 50' ' ' PRO . 1.6 t -61.18 141.85 93.68 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.3 Cg_endo -75.0 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.702 ' HA ' HD21 ' A' ' 38' ' ' LEU . 1.4 p30 -88.97 -55.66 3.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' ASP . 6.3 t70 -37.96 -63.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASP . 2.1 mt -39.71 -59.72 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.65 HD22 ' SD ' ' A' ' 41' ' ' MET . 51.1 mt -57.11 -53.88 53.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.928 ' O ' HD22 ' A' ' 59' ' ' LEU . 98.3 m -43.94 -57.32 3.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' LYS . 35.8 mt-10 -42.75 -48.61 5.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' HB3' ' HE1' ' A' ' 41' ' ' MET . . . -52.05 -48.1 64.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.887 HG23 ' HA ' ' A' ' 63' ' ' PHE . 20.8 mt -55.28 -51.53 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.928 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -70.41 -14.06 62.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.48 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -78.72 -19.19 52.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 1.007 ' NE2' HG21 ' A' ' 71' ' ' VAL . 42.9 m-70 -137.68 31.62 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 38.28 66.05 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.887 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.0 m-85 56.68 100.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -168.6 73.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.829 HG22 ' SG ' ' A' ' 37' ' ' CYS . 77.3 t -40.57 -56.94 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -38.87 -52.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.0 tptt -74.76 -57.46 3.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.686 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -39.63 -43.12 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 73' ' ' LEU . 4.2 mt -72.17 -52.25 17.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.3 -30.82 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.006 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 1.007 HG21 ' NE2' ' A' ' 61' ' ' HIS . 15.6 t -89.62 -44.86 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 68' ' ' ALA . 25.2 t -64.51 -14.13 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 69' ' ' LEU . 67.2 mt -92.07 -54.57 3.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.13 -23.32 20.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -82.65 -38.23 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -58.04 -28.31 64.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.72 -13.84 56.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.128 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 p -70.84 -48.59 53.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.995 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -45.22 -62.99 2.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 99.64 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.456 1.766 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.2 t -163.3 -64.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.952 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.7 t -98.18 143.52 28.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -58.08 142.91 45.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 110.037 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 p -177.78 98.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.84 147.37 4.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.66 151.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 110.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.26 141.09 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.17 -109.76 0.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.8 -28.14 2.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -59.76 -47.36 86.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -45.93 -62.3 3.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -44.89 -52.92 8.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 111.018 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.82 -58.38 6.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -41.97 -55.8 3.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.3 mt -47.77 -48.8 29.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.21 91.6 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -84.6 65.53 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.0 p 176.1 61.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.4 m -91.47 -58.57 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 179.94 -51.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -41.72 -56.06 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.39 -64.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -47.74 -55.21 10.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -49.82 -56.2 11.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 52.7 t60 -40.34 -56.45 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.54 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.76 -44.14 4.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 30' ' ' ASP . 5.2 mt 50.29 -177.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -89.91 163.61 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.82 -40.84 89.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 29' ' ' ILE . 4.0 mm -76.04 -56.81 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HB3' HD22 ' A' ' 26' ' ' LEU . 5.8 m-20 -41.15 -47.56 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' OE1' ' CE2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.2 -61.98 1.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -43.27 -38.71 2.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -56.47 7.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.566 HD21 HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -45.02 -63.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 31' ' ' GLN . 0.7 OUTLIER -43.38 -57.57 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 p -47.09 -25.76 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.656 ' SG ' HG23 ' A' ' 65' ' ' VAL . 6.9 m -94.89 -64.12 1.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.331 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.4 OUTLIER -38.89 -62.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' LEU . 3.9 m-20 -36.07 -53.32 0.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -44.27 -74.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.791 ' HG2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.11 -39.32 69.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.53 ' HG3' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -66.61 -11.18 52.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' ASP . 2.6 tt0 -81.68 -48.4 11.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' HB ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -95.27 -55.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.791 HD13 ' HG2' ' A' ' 41' ' ' MET . 5.3 mp -70.75 -50.97 30.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -37.18 -29.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 45' ' ' LEU . 30.0 t0 -39.26 -50.42 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.25 -55.87 2.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 45' ' ' LEU . 5.5 p -61.0 142.69 92.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.2 Cg_endo -74.99 -161.78 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.448 1.762 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 2.9 p-10 -91.35 -39.94 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -52.77 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -40.08 -64.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.704 ' HB2' HD21 ' A' ' 38' ' ' LEU . 48.7 mt -49.54 -49.03 47.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.812 ' O ' HD22 ' A' ' 59' ' ' LEU . 0.9 OUTLIER -53.13 -63.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -41.75 -45.2 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -55.52 -47.53 76.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.819 HG23 ' HA ' ' A' ' 63' ' ' PHE . 9.4 mt -54.85 -55.32 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -64.83 -14.15 58.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -73.64 -14.67 61.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -144.14 30.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.59 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.554 ' HE2' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER 39.99 65.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.819 ' HA ' HG23 ' A' ' 58' ' ' ILE . 23.5 m-85 60.83 91.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 111.047 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 67' ' ' LYS . 3.4 t0 -160.7 63.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.931 HG12 HD12 ' A' ' 69' ' ' LEU . 67.6 t -39.39 -54.93 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.38 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -81.22 -59.43 2.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.662 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -42.39 -33.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.931 HD12 HG12 ' A' ' 65' ' ' VAL . 9.3 mt -73.0 -58.01 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -47.82 -28.97 2.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.05 -49.31 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 68' ' ' ALA . 5.2 t -54.16 -45.26 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.83 -53.86 53.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.82 -50.22 74.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -53.74 -61.7 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.8 -33.96 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.63 -24.3 1.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.147 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.38 -43.51 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -45.41 -70.26 0.65 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 129.89 12.78 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -46.08 64.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.81 121.29 35.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -92.94 123.15 35.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 0.747 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.48 155.98 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.15 163.84 23.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -157.22 138.89 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.013 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.37 -61.67 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.86 84.26 1.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -77.28 -10.61 59.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -69.22 -42.9 75.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -51.32 -59.85 7.89 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.14 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -42.55 -50.28 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -49.16 -60.51 2.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.74 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -50.51 52.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 64.89 176.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.97 139.37 0.68 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.73 154.87 5.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.4 p -52.36 -21.76 3.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.96 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.56 -172.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -21.42 18.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -47.68 62.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 22' ' ' LEU . 0.2 OUTLIER -43.93 -63.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -40.76 -57.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -40.04 -45.69 1.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.603 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -51.21 -51.46 53.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD22 ' HB3' ' A' ' 30' ' ' ASP . 4.0 mt 52.4 177.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -89.09 161.64 16.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.063 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.28 -63.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.0 mt -53.44 -56.46 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -42.82 -60.12 1.71 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -42.81 -58.48 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.57 -38.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.44 -48.33 41.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' GLN . 0.2 OUTLIER -52.55 -55.93 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -58.24 -45.43 87.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 t -60.63 -21.11 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 63.4 m -94.28 -55.75 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -46.45 -48.29 18.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -43.19 -60.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.411 ' CD2' HD11 ' A' ' 69' ' ' LEU . 71.2 t60 -44.07 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.6 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.658 ' HG2' HD21 ' A' ' 69' ' ' LEU . 2.8 mtm -53.82 -17.26 2.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.011 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 38' ' ' LEU . 30.4 ttt180 -86.37 -11.55 51.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -92.7 -34.11 14.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.257 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 45' ' ' LEU . 12.4 p -93.64 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.253 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' N ' HG13 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -85.12 -50.3 7.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.502 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.72 -30.69 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' LEU . 6.0 m-20 -39.08 -58.52 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.37 -38.89 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.783 HG13 ' HD2' ' A' ' 50' ' ' PRO . 53.7 t -68.84 144.36 95.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.355 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.783 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.94 -165.98 0.32 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -92.48 -49.87 5.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 5.0 m-20 -39.1 -67.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.5 mt -38.8 -57.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.733 ' HB2' HD21 ' A' ' 38' ' ' LEU . 61.4 mt -56.11 -55.52 31.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.983 ' O ' HD22 ' A' ' 59' ' ' LEU . 4.3 m -47.88 -57.55 5.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.377 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 60' ' ' LYS . 14.0 mt-10 -47.57 -55.0 10.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.439 ' HB1' ' HB1' ' A' ' 68' ' ' ALA . . . -45.21 -51.06 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.878 HG23 ' HA ' ' A' ' 63' ' ' PHE . 8.7 mt -53.09 -60.07 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.983 HD22 ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -62.18 -14.29 36.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -74.98 -22.19 58.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.3 m-70 -134.68 32.81 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.593 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 39.51 68.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.878 ' HA ' HG23 ' A' ' 58' ' ' ILE . 6.5 m-85 55.82 89.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.64 83.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.725 HG12 HD12 ' A' ' 69' ' ' LEU . 53.1 t -56.95 -55.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -38.08 -34.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 tptt -93.9 -54.57 3.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -47.48 -33.78 6.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.725 HD12 HG12 ' A' ' 65' ' ' VAL . 5.8 mt -73.57 -46.23 48.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -28.9 64.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 67.7 t -92.26 -46.0 14.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 68' ' ' ALA . 12.3 t -57.21 -46.73 84.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mt -47.76 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.8 -55.75 23.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 78' ' ' SER . 30.5 tt0 -47.55 -59.11 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -48.79 -45.01 39.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -53.03 -24.59 21.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 75' ' ' GLN . 13.7 t -56.74 -42.72 79.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.796 . . . . 0.0 110.054 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.82 -70.85 0.74 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 115.11 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -65.49 110.06 2.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.2 p -131.12 144.29 51.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.961 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.27 141.21 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 0.763 . . . . 0.0 110.012 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m 68.4 159.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.971 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.29 146.31 4.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.99 171.03 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 0.797 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.5 p -145.94 164.39 32.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.72 91.92 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.62 -57.31 2.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.791 . . . . 0.0 110.26 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -81.62 -45.97 15.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -53.0 -66.52 2.66 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -37.95 -53.42 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -56.55 16.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -42.41 -53.79 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -49.67 68.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.5 115.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.27 60.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.69 167.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.973 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 t -87.81 -65.19 1.04 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 23' ' ' ASN . 29.0 m-80 60.99 150.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -25.73 50.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -85.36 -62.1 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 tt -49.28 -53.09 23.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' ASN . 27.2 t30 -49.69 -35.95 23.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -56.26 -44.81 80.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.633 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -57.39 -30.92 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mt 64.79 150.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -63.04 155.63 27.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -44.01 -63.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -44.35 -71.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -40.62 -50.19 3.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.58 -57.16 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.7 -54.33 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -62.28 -48.46 79.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.83 HD13 ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -53.8 -63.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 109.319 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.83 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.4 m-85 -55.21 -44.03 74.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 t -59.03 -24.45 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.068 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 12.5 m -94.73 -31.21 13.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -72.35 -58.75 3.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 51.9 t0 -40.65 -52.74 2.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 44' ' ' VAL . 64.2 t60 -44.38 -75.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.74 -34.98 3.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -58.7 -60.14 4.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -14.41 2.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 40' ' ' HIS . 59.1 t -91.42 -75.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.256 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' ASP . 1.1 mp -96.96 -28.72 14.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 42' ' ' ARG . . . -36.26 -30.75 0.03 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -36.23 -42.12 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 0.803 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.82 -55.27 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.821 HG11 HD21 ' A' ' 54' ' ' LEU . 9.3 p -64.36 141.69 98.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.01 -161.73 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -89.9 -41.06 12.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ILE . 12.3 m-20 -51.95 -66.27 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' ASP . 4.1 mt -38.87 -60.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 HG11 ' A' ' 49' ' ' VAL . 43.9 mt -53.73 -53.92 45.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.814 ' O ' HD22 ' A' ' 59' ' ' LEU . 16.3 m -46.72 -59.12 3.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.8 -45.59 20.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -52.08 -46.33 65.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.788 HG23 ' HA ' ' A' ' 63' ' ' PHE . 6.0 mt -56.88 -55.79 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.814 HD22 ' O ' ' A' ' 55' ' ' THR . 0.4 OUTLIER -65.07 -14.4 60.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.484 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 1.1 tpmt? -77.57 -15.89 58.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 7.5 m-70 -138.88 28.01 2.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.12 66.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.788 ' HA ' HG23 ' A' ' 58' ' ' ILE . 8.7 m-85 55.73 91.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 111.017 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 67' ' ' LYS . 10.4 t0 -160.33 60.84 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' HA ' ' HB3' ' A' ' 68' ' ' ALA . 78.5 t -40.61 -57.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -37.93 -36.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 64' ' ' ASP . 16.5 tptt -93.97 -51.65 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -48.08 -30.25 4.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 45' ' ' LEU . 3.2 mt -72.18 -53.12 13.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.436 ' HA ' HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -54.67 -26.6 34.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.6 t -91.88 -42.28 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 68' ' ' ALA . 12.3 t -63.33 -14.53 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.621 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -92.2 -49.57 6.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 9.3 pt-20 -64.91 -18.05 64.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -45.79 28.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.492 ' O ' ' CD ' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -56.58 -29.45 62.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.84 -27.71 28.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -63.72 -62.28 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -38.69 -66.29 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.492 ' CD ' ' O ' ' A' ' 76' ' ' ASP . 18.1 Cg_endo -75.02 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.4 m -150.37 103.63 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.43 168.36 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.007 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -119.21 135.33 54.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -113.95 151.46 32.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.48 -93.82 0.14 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.26 -57.08 0.96 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -75.4 -59.56 2.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.01 68.37 0.19 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.29 -25.44 54.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.769 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -78.55 -48.56 14.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.5 -57.65 17.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -44.71 -53.34 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 111.036 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -47.48 -58.83 3.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -48.37 -53.27 18.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -49.96 -50.34 47.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.2 mtp180 -71.96 147.62 46.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.263 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 69.85 -62.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.238 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER 71.23 78.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.973 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.7 m -88.53 -55.41 3.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.64 110.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.57 -55.66 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.3 -63.32 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -65.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -48.98 -51.41 30.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -47.13 -55.88 7.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.635 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -42.72 4.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.12 83.31 1.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -47.62 151.34 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -40.31 -35.31 0.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 29' ' ' ILE . 4.4 mm -67.22 -69.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.439 ' N ' HG22 ' A' ' 29' ' ' ILE . 96.2 m-20 -42.31 -58.43 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -38.86 -60.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.04 -56.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -49.96 -54.02 22.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 34' ' ' LEU . 1.8 tm? -46.83 -61.6 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CD1' HD23 ' A' ' 38' ' ' LEU . 2.1 m-85 -54.87 -38.06 67.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -25.6 64.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 31.4 m -94.85 -22.28 18.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 108.248 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.796 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -81.77 -59.64 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 38' ' ' LEU . 49.9 t0 -44.53 -39.05 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -61.09 -71.75 0.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.128 . . . . 0.0 109.579 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.617 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -58.8 -13.76 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.495 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 14.2 ttt180 -76.71 -26.27 54.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -12.67 29.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.88 -74.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD11 ' CD2' ' A' ' 69' ' ' LEU . 1.4 mp -97.18 -27.93 14.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA2' HG13 ' A' ' 49' ' ' VAL . . . -36.33 -32.0 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.5 t0 -38.76 -38.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.75 -54.44 2.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.938 HG11 HD21 ' A' ' 54' ' ' LEU . 9.8 p -67.25 141.39 96.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.474 1.776 . . . . 0.0 111.012 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -89.16 -33.73 16.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ILE . 0.5 OUTLIER -58.56 -67.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 49' ' ' VAL . 4.0 mt -38.98 -64.29 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.938 HD21 HG11 ' A' ' 49' ' ' VAL . 65.5 mt -46.78 -50.34 18.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.775 ' O ' HD22 ' A' ' 59' ' ' LEU . 1.0 OUTLIER -55.09 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.406 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -43.77 -40.1 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.323 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 54' ' ' LEU . . . -58.63 -47.86 82.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.652 HG23 ' HA ' ' A' ' 63' ' ' PHE . 5.4 mt -52.13 -52.03 26.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.775 HD22 ' O ' ' A' ' 55' ' ' THR . 0.5 OUTLIER -67.59 -27.53 67.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -58.96 -17.27 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 5.8 m-70 -140.22 23.59 2.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.64 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.48 ' CE ' ' HA ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER 42.54 79.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.652 ' HA ' HG23 ' A' ' 58' ' ' ILE . 31.8 m-85 46.03 85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' LYS . 2.0 t70 -153.7 57.5 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG12 HD12 ' A' ' 69' ' ' LEU . 53.7 t -40.28 -58.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -37.53 -36.69 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.261 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HD3' HG23 ' A' ' 71' ' ' VAL . 5.8 tmtm? -93.03 -54.25 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 72' ' ' VAL . . . -47.06 -29.96 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.617 HD21 ' HG2' ' A' ' 41' ' ' MET . 5.8 mt -73.36 -49.01 29.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.3 t -54.31 -29.43 47.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG23 ' HD3' ' A' ' 67' ' ' LYS . 49.1 t -92.2 -47.09 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 68' ' ' ALA . 9.0 t -55.37 -25.92 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.637 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -92.29 -50.13 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.433 ' N ' ' HG ' ' A' ' 73' ' ' LEU . 21.9 tt0 -50.46 -30.31 12.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -84.6 -60.3 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -44.82 -47.62 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.237 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -41.23 -28.22 0.28 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.4 t -52.92 -50.65 63.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 0.787 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -43.78 -72.01 0.38 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 68.13 5.81 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.13 159.14 44.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.3 p -56.45 128.35 35.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -162.65 95.51 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.976 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.42 134.14 9.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.34 -70.46 0.46 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t 55.92 88.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.62 78.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.08 -62.13 2.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -42.84 -45.36 4.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -50.85 -51.01 55.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' TYR . . . -70.67 -58.85 5.56 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' GLY . 2.3 m-85 -37.98 -52.04 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.77 -60.19 1.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.68 -53.61 45.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.16 -51.85 7.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -57.11 116.58 3.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.21 -172.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.6 p -112.72 84.34 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.3 m -90.49 -62.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -101.47 162.38 12.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.0 m -50.46 -56.82 9.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -46.27 -51.12 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.24 -49.61 75.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -54.47 -34.39 61.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -51.08 -42.7 60.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.597 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -48.52 -37.14 16.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.5 mt 53.52 174.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 p -97.15 150.43 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.014 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -41.75 -43.62 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.76 -64.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.35 -51.37 4.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' TYR . 6.9 mt-30 -46.69 -56.51 6.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.246 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.58 7.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -38.8 92.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -67.77 -28.8 67.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' GLN . 3.6 m-85 -86.52 -12.42 48.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.0 -15.7 25.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.908 ' SG ' HD13 ' A' ' 58' ' ' ILE . 26.4 p -94.68 -43.57 8.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.628 HD11 ' OG1' ' A' ' 55' ' ' THR . 0.5 OUTLIER -54.41 -71.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 38' ' ' LEU . 11.2 t70 -35.11 -57.89 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.428 ' CD2' HG11 ' A' ' 65' ' ' VAL . 32.5 t60 -38.85 -75.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.757 ' HG2' HD21 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -56.72 -35.6 68.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.546 ' O ' ' HA3' ' A' ' 46' ' ' GLY . 0.0 OUTLIER -67.94 -8.24 35.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 39' ' ' ASP . 12.9 tt0 -87.95 -44.33 11.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 45' ' ' LEU . 9.4 p -94.41 -54.16 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 ' N ' HG13 ' A' ' 44' ' ' VAL . 34.6 mt -78.14 -47.98 16.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 42' ' ' ARG . . . -36.33 -31.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 45' ' ' LEU . 1.9 m-20 -38.51 -54.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.767 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.85 -53.3 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 50' ' ' PRO . 83.1 t -59.8 143.22 87.53 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 49' ' ' VAL . 18.4 Cg_endo -74.95 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' OD2' ' CZ ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -92.37 -56.71 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 51' ' ' ASP . 5.7 m-20 -38.27 -68.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' ASP . 3.6 mt -39.59 -63.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' HG ' HG12 ' A' ' 49' ' ' VAL . 47.2 mt -49.6 -49.42 46.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.773 HG23 HD21 ' A' ' 34' ' ' LEU . 47.4 m -55.23 -67.52 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -38.2 -53.25 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.95 -46.78 4.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.908 HD13 ' SG ' ' A' ' 37' ' ' CYS . 4.7 mt -63.85 -42.94 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' N ' ' A' ' 59' ' ' LEU . 2.7 mm? -71.29 -13.62 61.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HA ' ' CE ' ' A' ' 60' ' ' LYS . 1.4 tpmt? -84.23 -14.27 50.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.543 ' CD2' ' HA ' ' A' ' 68' ' ' ALA . 9.6 m-70 -133.93 27.02 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.592 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER 37.55 67.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.878 ' HA ' HG23 ' A' ' 58' ' ' ILE . 59.7 m-85 58.46 97.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -174.31 65.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.789 ' CG1' HD12 ' A' ' 69' ' ' LEU . 54.8 t -41.7 -58.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -36.86 -31.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 71' ' ' VAL . 3.7 tptp -94.09 -47.28 6.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HA ' ' CD2' ' A' ' 61' ' ' HIS . . . -56.58 -41.05 76.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.789 HD12 ' CG1' ' A' ' 65' ' ' VAL . 9.0 mt -70.53 -42.78 70.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -30.19 66.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.43 1.081 . . . . 0.0 109.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 67' ' ' LYS . 49.0 t -92.48 -49.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.483 ' CG1' HD13 ' A' ' 45' ' ' LEU . 4.4 t -54.01 -41.6 50.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.07 -57.33 7.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.03 -52.19 66.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -46.24 -41.92 13.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -46.16 -29.49 3.56 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.0 t -59.67 -39.38 84.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.84 -69.01 1.02 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 70.57 5.3 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.485 1.782 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 p 59.34 168.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.999 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -60.11 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.995 . . . . . . . . 0 0 . 1 stop_ save_