data_2roz_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 2roz _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.85 -35.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.8 -56.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' GLN . 18.7 mtt -60.68 -46.12 91.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 6.1 mt-30 -42.17 -27.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' MET . 1.8 mp0 -123.43 -86.29 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 4.7 m-80 -40.92 -34.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 -141.46 38.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 61.8 t80 -164.57 131.87 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -51.73 60.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 59.7 mttt 66.9 145.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.571 ' CZ ' ' HB1' ' B' ' 125' ' ' ALA . 62.1 m-85 -153.39 103.09 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.09 119.43 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.41 -162.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -113.38 165.16 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -119.48 103.06 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.517 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -63.0 -35.19 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.92 -169.84 20.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.4 ttp -108.19 128.4 54.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.485 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -118.29 133.62 23.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 147.57 34.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.24 -179.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 -57.53 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 159.06 32.62 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.39 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.91 -177.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.51 133.11 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -45.74 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -19.51 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -80.78 -26.41 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 38' ' ' ASN . 12.7 tp -86.05 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' B' ' 37' ' ' LEU . 91.3 m-20 -40.47 -51.25 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -41.06 -47.56 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.59 -66.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.3 mt -41.66 -46.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.05 -49.64 73.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -64.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 32.7 mt -48.69 -52.35 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.9 mmt -38.94 -65.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 47' ' ' SER . 5.0 t -68.03 -51.51 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.424 ' N ' HG22 ' B' ' 46' ' ' THR . 0.4 OUTLIER -37.48 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -80.61 174.16 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.403 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 32.0 m -95.03 175.2 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.39 -40.69 57.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -24.09 57.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -63.8 -39.36 94.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.4 m0 -55.89 111.51 3.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -89.34 132.83 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.84 -178.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 71.3 m-20 -130.72 108.56 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttm -82.44 104.61 12.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.78 127.87 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 24.4 t -131.34 105.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.89 -157.92 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -41.34 -57.84 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.475 ' CB ' HG11 ' B' ' 82' ' ' VAL . . . -155.07 66.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 91.2 m -158.23 133.95 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 80' ' ' CYS . 79.2 t -120.97 101.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -115.75 144.88 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' B' ' 77' ' ' LEU . 75.9 t -111.45 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.4 mt -100.21 145.47 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.417 ' O ' ' O ' ' B' ' 72' ' ' ASN . 1.2 t -52.54 147.47 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.42 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.66 -53.66 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -75.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 69' ' ' SER . 18.5 m-20 -68.23 155.6 39.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -112.02 -26.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -99.68 32.31 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -126.75 85.52 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 p -63.57 153.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 67' ' ' VAL . 14.9 mt -122.79 -50.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.493 HG23 ' CE1' ' B' ' 111' ' ' HIS . 2.0 t -142.91 125.95 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -105.94 93.73 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.4 t -102.17 98.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 6.5 mmm180 -78.27 124.33 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.475 HG11 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.82 -27.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' B' ' 81' ' ' ARG . 17.6 mmt180 -74.19 -43.53 56.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.461 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 10.2 m-85 -74.29 -41.23 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.471 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -40.74 142.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 5.9 p -116.23 -58.84 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -128.83 156.84 43.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' B' ' 130' ' ' CYS . 0.0 OUTLIER -166.62 137.8 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.9 -152.01 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 2.0 m -131.7 168.72 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.17 -125.12 3.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -89.31 -15.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -122.73 131.67 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' OE1' ' A' ' 15' ' ' GLN . 10.4 m -67.57 -14.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 4.2 m80 -70.83 -12.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.0 p -105.01 158.76 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.602 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 61.8 t80 -158.11 114.65 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.427 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -119.11 160.89 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.607 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.0 p90 -155.53 143.35 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 mt -94.71 141.58 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -140.32 143.0 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.494 0.188 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.46 146.78 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 11.6 t -119.04 137.44 53.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.6 m-70 -122.76 114.48 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.601 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 46.0 t -93.98 164.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 55.6 m-85 -155.54 163.15 40.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -120.19 105.75 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 4.2 m -95.92 161.87 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.476 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.8 OUTLIER -141.13 129.96 12.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -62.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.025 0.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' B' ' 120' ' ' ALA . 37.4 p30 -96.45 176.57 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -105.02 44.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -80.13 -48.58 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.29 -49.38 67.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.499 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.6 t -54.13 -70.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.602 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 25.5 m -48.68 -33.84 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 22.9 tt0 -67.6 -51.36 51.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' B' ' 18' ' ' PHE . . . -60.49 -18.01 48.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 11.3 t -93.45 -51.56 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.408 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.81 -43.53 77.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 130' ' ' CYS . . . -58.16 -56.96 15.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 98.9 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' LYS . 11.1 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -39.56 -30.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 11.5 tttt -65.7 -60.76 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.46 ' HA ' ' CA ' ' A' ' 18' ' ' GLY . 10.7 mtt -67.25 -26.06 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -45.69 -42.31 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -129.6 -42.25 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 1.5 t-20 -72.17 -10.98 60.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 40.09 -161.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 59.9 t80 -147.38 130.98 16.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.38 -39.21 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 152.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 125' ' ' ALA . 54.8 m-85 -158.69 94.52 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -69.5 102.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.07 -168.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -103.01 167.29 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.37 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.425 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -69.97 -38.76 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.73 -173.24 20.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.525 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.2 ttp -104.94 126.16 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.487 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.25 134.75 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.0 Cg_endo -75.09 139.82 24.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.1 m -127.64 -178.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.69 -49.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -95.29 147.7 33.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.12 6.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.55 160.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.21 133.62 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' B' ' 90' ' ' VAL . 96.7 mmm -76.8 -38.31 54.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.37 -34.31 4.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 37.7 m -87.44 -47.14 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -63.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.04 -46.91 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -41.79 -46.67 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -54.94 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' B' ' 45' ' ' MET . 46.2 mt -50.28 -49.5 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.49 -36.0 82.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -68.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.463 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 35.8 mt -49.82 -46.42 51.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.1 mmt -37.03 -48.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -95.66 -37.05 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -46.11 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 p -123.61 176.71 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -96.01 172.39 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.562 ' HE3' ' CZ2' ' B' ' 114' ' ' TRP . 0.0 OUTLIER -75.19 -39.51 60.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.47 -20.96 59.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.83 -44.98 68.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -49.22 109.68 1.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.94 40.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -84.83 131.56 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 m -135.97 167.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 86.3 m-20 -115.08 111.46 21.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ttm -86.35 104.99 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -79.8 127.84 32.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 23.6 t -131.45 106.33 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.95 -153.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -39.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.417 ' CB ' HG11 ' B' ' 82' ' ' VAL . . . -147.53 67.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 81.6 m -158.58 138.42 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.6 100.12 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -111.94 142.83 43.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -111.25 102.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 18.6 mt -101.48 148.16 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.4 ' O ' ' O ' ' B' ' 72' ' ' ASN . 3.6 t -57.74 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.419 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.3 OUTLIER -49.83 -55.53 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -77.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 83.5 m-20 -69.87 115.97 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -7.81 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -109.35 14.36 23.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.28 104.1 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.5 144.22 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 mt -118.56 -57.03 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' B' ' 111' ' ' HIS . 1.5 t -136.54 137.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -119.1 94.66 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 7.3 t -100.14 92.29 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 -73.42 116.87 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.417 HG11 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.12 -36.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -50.14 72.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' B' ' 85' ' ' LEU . 5.8 m-85 -70.54 -36.16 73.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.423 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -39.63 152.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 p -125.57 -46.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 26.5 t80 -146.46 156.3 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.429 ' HE2' ' CG1' ' B' ' 126' ' ' VAL . 0.0 OUTLIER -167.29 130.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.78 -152.42 6.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.501 ' O ' ' CE ' ' B' ' 34' ' ' MET . 0.9 OUTLIER -133.75 160.34 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.07 -117.6 0.59 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -90.99 -30.87 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.82 139.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' B' ' 96' ' ' THR . 9.1 m -70.42 -36.55 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -42.75 -28.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.426 ' N ' ' C ' ' B' ' 94' ' ' VAL . 61.0 p -96.51 155.3 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.674 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 34.7 t80 -157.95 116.68 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.408 ' HB1' ' CG2' ' B' ' 112' ' ' VAL . . . -117.8 164.56 14.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.607 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.4 p90 -155.95 143.01 19.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -95.06 134.35 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptm -128.95 145.2 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.539 0.209 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.77 140.35 46.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 41.0 t -111.92 135.13 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.279 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.2 m-70 -123.23 113.58 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.565 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 36.4 t -91.98 161.96 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.9 m-85 -152.09 159.8 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 12.1 t-105 -116.46 105.35 12.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.05 151.4 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.512 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -132.4 136.99 28.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.96 -54.27 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.997 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -110.3 168.84 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.82 31.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.1 -41.56 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.19 -42.4 46.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.674 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.3 t -63.68 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.0 p -52.62 -37.48 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.0 -55.59 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.517 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . . . -52.77 -22.2 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 16.3 t -93.48 -36.38 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.57 -48.06 70.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.98 66.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.64 -53.78 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.41 ' N ' HG23 ' B' ' 82' ' ' VAL . 19.9 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 m -45.8 -55.16 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -41.79 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.0 mtt -81.74 -44.94 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -40.31 -53.59 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 1.5 pp0? -111.57 163.07 14.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.82 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . 94.42 164.54 35.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CE2' ' HE3' ' B' ' 88' ' ' MET . 77.2 t80 -105.54 134.39 48.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -56.96 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 63.71 149.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -157.23 92.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.475 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 1.1 tmm_? -60.93 97.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 m -123.26 -162.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -112.74 171.15 7.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.3 113.42 18.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.546 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -74.13 -34.77 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.52 -177.75 17.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -102.04 127.13 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.16 134.01 22.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 151.4 39.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.9 m -139.76 -175.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -123.8 -50.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -95.35 150.36 37.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.91 9.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.67 139.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' B' ' 36' ' ' THR . . . 155.93 102.32 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.6 tpt -45.95 -34.52 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.17 -39.29 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.446 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 9.0 m -74.27 -28.32 61.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -71.49 -66.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.73 -45.61 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 t -40.25 -48.18 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.59 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -42.02 -53.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -58.84 -38.13 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.7 OUTLIER -66.4 -71.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 29.1 mt -43.85 -39.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 3.7 mmt -50.87 -43.32 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.8 t -99.95 -8.09 24.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.437 ' N ' ' O ' ' B' ' 43' ' ' ASN . 0.0 OUTLIER -93.26 11.33 28.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m 179.59 152.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -83.66 173.6 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.573 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.83 -33.23 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.47 -1.74 57.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -5.59 48.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -91.42 112.92 56.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 154.2 41.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -81.15 141.78 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -143.07 177.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -124.24 108.94 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.3 ttm -84.02 99.04 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' B' ' 66' ' ' THR . 12.4 m-20 -77.8 126.6 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 t -131.37 103.15 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -108.31 -148.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -36.49 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' B' ' 82' ' ' VAL . . . -135.22 66.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 54.9 m -157.17 146.38 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 80' ' ' CYS . 42.0 t -132.88 98.43 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 59' ' ' ASN . 98.4 m -109.06 142.3 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.01 92.66 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.6 mt -90.15 148.61 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.4 ' O ' ' O ' ' B' ' 72' ' ' ASN . 0.2 OUTLIER -57.05 148.45 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.475 ' OE2' ' CD ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -67.75 -56.26 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.16 56.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 6.5 m-20 163.94 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.5 -4.09 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 2.08 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -98.05 92.23 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -76.28 141.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -111.97 -52.6 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.37 144.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -124.21 94.38 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 8.6 t -96.2 97.45 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' B' ' 84' ' ' PHE . 13.1 mmt180 -78.46 118.8 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -48.09 -26.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -73.8 -36.88 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.9 m-85 -84.87 -34.1 22.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -43.45 150.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -130.58 -52.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -130.08 144.75 51.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.485 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -161.26 127.68 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.99 -150.23 6.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.7 m -130.15 161.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.41 -120.51 1.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.58 -19.68 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.4 138.73 53.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' B' ' 119' ' ' ALA . 20.3 m -75.98 -2.34 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 1.0 OUTLIER -85.54 -11.15 54.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.6 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 72.8 p -114.2 124.55 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.485 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 18.7 t80 -121.02 114.79 22.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -114.45 150.74 34.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.61 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 8.0 p90 -146.48 142.11 27.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mt -95.92 123.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptm -118.21 138.74 52.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.537 0.208 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.87 130.21 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 48.2 t -96.67 121.33 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 108.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.4 m-70 -115.33 106.94 14.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.594 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 25.1 t -90.45 165.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.4 m-85 -156.58 161.44 39.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.463 ' NE1' ' NZ ' ' B' ' 50' ' ' LYS . 48.0 t-105 -113.01 109.64 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -102.05 147.88 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 37.4 mt-10 -131.33 129.99 22.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.621 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -75.06 -58.02 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.031 0.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -104.82 -177.23 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -106.22 55.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.41 -47.3 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -70.84 -50.7 32.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.485 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.9 t -54.05 -71.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 122' ' ' VAL . 60.7 p -38.75 -50.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 127' ' ' GLN . 17.8 tt0 -60.73 -58.17 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.06 -28.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' B' ' 124' ' ' GLU . 4.4 t -93.25 -40.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' B' ' 124' ' ' GLU . 39.5 tt0 -61.75 -31.69 71.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.34 -20.11 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.5 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.419 ' N ' HG21 ' B' ' 82' ' ' VAL . 6.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.332 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' SER . 17.2 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 11.1 t -38.44 -44.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -63.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.72 -38.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.414 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 22.9 mt-30 -61.29 -56.49 19.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 12' ' ' SER . 2.1 mp0 -77.72 -95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -40.51 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.14 -179.4 23.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 53.5 t80 -123.07 129.49 51.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -53.05 34.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -156.98 93.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.62 99.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 m -126.63 -162.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' B' ' 50' ' ' LYS . 1.5 tt0 -107.51 167.1 10.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.48 101.57 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -61.48 -40.78 95.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.81 -177.76 17.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.462 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -100.18 131.3 46.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.05 134.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.483 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 127.98 11.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 m -114.1 179.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.65 -56.64 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 157.19 34.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.41 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.03 -12.24 21.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.81 177.08 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 120.63 3.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -64.48 -32.43 74.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 111.036 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -21.37 60.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.2 m -82.31 -31.16 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 tp -73.02 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.7 m-80 -42.88 -53.54 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -38.95 -44.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -58.96 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' B' ' 45' ' ' MET . 12.0 mt -50.33 -46.5 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.49 -39.21 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.54 -70.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.6 mt -45.99 -48.98 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.409 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.2 OUTLIER -37.7 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.433 HG23 ' N ' ' B' ' 47' ' ' SER . 3.9 t -82.57 -44.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.433 ' N ' HG23 ' B' ' 46' ' ' THR . 0.6 OUTLIER -47.97 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.66 160.33 14.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.454 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 61.3 m -90.06 178.92 6.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.579 ' NZ ' ' CZ2' ' B' ' 114' ' ' TRP . 0.6 OUTLIER -74.75 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -33.47 70.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -44.64 79.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.8 m0 -53.8 109.44 1.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.018 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.03 37.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -84.07 130.2 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.18 164.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 95.3 m-20 -110.79 109.83 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.8 ttm -83.56 108.27 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.85 132.5 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.1 t -135.16 102.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.3 -168.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 61' ' ' ALA . 19.2 t0 -36.77 -56.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.419 ' O ' ' OG1' ' B' ' 64' ' ' THR . . . -152.33 69.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 44.9 m -159.83 141.98 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' B' ' 80' ' ' CYS . 53.5 t -131.09 96.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 57.7 m -111.98 147.9 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' B' ' 77' ' ' LEU . 89.1 t -114.34 100.81 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.4 mt -98.76 147.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.1 t -57.9 132.77 54.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER -46.33 -51.25 15.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -48.64 134.56 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -96.55 -5.7 38.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.91 18.93 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -112.8 88.98 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.64 152.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 67' ' ' VAL . 19.6 mt -122.15 -53.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.41 HG22 ' CE1' ' B' ' 111' ' ' HIS . 2.2 t -141.81 142.03 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.58 94.34 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.501 ' SG ' ' CD1' ' B' ' 85' ' ' LEU . 13.3 t -95.33 94.33 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.3 mpt_? -68.25 113.83 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.418 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.6 -27.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.8 OUTLIER -71.79 -44.3 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 9.2 m-30 -78.82 -35.23 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.501 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -40.02 135.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -105.3 -61.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 54.2 t80 -130.92 160.95 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.435 ' HE3' ' CG1' ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.6 137.08 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.33 -146.09 5.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.414 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 1.6 m -131.3 168.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.37 -95.83 1.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -111.12 -32.07 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 95' ' ' HIS . 10.7 m -55.68 -29.62 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.404 ' N ' HG23 ' B' ' 94' ' ' VAL . 4.6 m80 -52.71 -22.18 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 22.0 p -98.1 157.94 15.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.528 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.8 t80 -158.41 113.34 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.417 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -115.82 165.16 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.2 p90 -159.26 144.31 15.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -97.46 139.53 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -139.07 145.12 39.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.491 0.186 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.37 131.15 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 49.4 t -104.11 114.71 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.2 m-70 -110.52 108.12 17.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.608 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.579 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 41.8 t -90.38 162.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 43.5 m-85 -152.0 169.28 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.579 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 53.6 t-105 -127.55 108.3 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 21.9 m -103.06 157.19 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -136.1 132.82 19.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -58.69 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.013 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -103.77 176.93 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -98.27 30.18 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.54 82.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -73.76 -46.9 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.528 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.4 t -60.54 -59.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 119' ' ' ALA . 54.6 p -52.54 -39.51 61.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' B' ' 126' ' ' VAL . 7.2 tp10 -68.15 -59.4 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.18 -27.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.435 ' CG1' ' HE3' ' B' ' 88' ' ' MET . 11.9 t -93.2 -41.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -56.76 -31.71 64.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.61 -42.22 13.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.61 -40.47 39.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 108.301 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' B' ' 120' ' ' ALA . 59.7 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -38.87 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.44 -60.49 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.3 mtt -53.48 -23.38 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -66.31 -25.98 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -120.84 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.77 -179.34 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 57.1 t80 -123.51 133.03 54.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.517 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 21.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.409 ' N ' HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -81.1 -44.47 17.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.517 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 67.68 148.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 52.1 m-85 -155.07 104.65 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 116.16 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.95 -162.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -113.84 167.42 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -122.28 113.72 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -35.07 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.21 177.95 15.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' B' ' 111' ' ' HIS . 4.0 tmm? -91.48 138.58 31.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.752 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.486 ' N ' ' SD ' ' B' ' 25' ' ' MET . 0.2 OUTLIER -126.06 133.55 25.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.98 128.3 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.13 -172.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 -52.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -91.26 147.17 34.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.21 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.56 168.16 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.26 141.78 7.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 82.6 mmm -81.35 -42.23 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.92 -22.03 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -89.71 -45.03 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.51 -63.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -50.64 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -40.63 -54.45 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.71 -59.89 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' B' ' 45' ' ' MET . 4.9 mt -47.04 -52.85 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.25 -33.45 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -70.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.465 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 14.6 mt -47.51 -43.1 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.8 mmt -41.65 -60.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 t -79.47 -32.43 42.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -44.23 -65.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -114.41 -177.4 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.5 m -94.06 -178.99 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.567 ' HE3' ' CZ2' ' B' ' 114' ' ' TRP . 0.0 OUTLIER -78.73 -35.93 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.3 -30.68 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -59.34 -41.04 88.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -55.88 109.63 1.77 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.17 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -86.73 134.24 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.14 -178.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -133.52 108.92 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.415 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 25.6 ttm -82.67 99.04 9.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.408 ' ND2' ' CD1' ' B' ' 68' ' ' ILE . 8.3 m-80 -76.29 120.36 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.415 ' CG2' ' HG2' ' B' ' 58' ' ' MET . 24.4 t -125.03 109.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.45 -150.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.59 -67.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.449 ' HB1' ' CG1' ' B' ' 82' ' ' VAL . . . -150.15 67.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 74.1 m -158.74 142.83 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 80' ' ' CYS . 39.9 t -128.71 101.19 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.2 m -114.15 133.55 55.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' B' ' 77' ' ' LEU . 77.9 t -100.23 101.42 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.409 HG23 ' N ' ' B' ' 69' ' ' SER . 32.5 mt -99.33 148.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.409 ' N ' HG23 ' B' ' 68' ' ' ILE . 1.4 t -59.15 134.15 56.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.61 -55.0 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -71.6 122.59 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.41 -13.87 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -104.07 32.06 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.51 87.88 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -61.91 151.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' B' ' 67' ' ' VAL . 12.5 mt -121.04 -50.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.486 HG22 ' CE1' ' B' ' 111' ' ' HIS . 2.2 t -143.33 138.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.424 ' O ' ' CE ' ' B' ' 101' ' ' MET . 8.4 tt0 -118.66 94.4 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' B' ' 99' ' ' PHE . 10.5 t -95.96 87.67 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 21.8 mmt180 -66.27 116.22 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.449 ' CG1' ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.92 -34.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -66.19 -45.17 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' B' ' 81' ' ' ARG . 14.8 m-85 -75.34 -36.83 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.508 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.61 140.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.0 p -112.93 -56.42 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 48.7 t80 -136.03 153.94 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.41 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -160.76 127.08 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.12 -156.91 9.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.406 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.8 m -123.74 167.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.449 ' CA ' HD12 ' B' ' 41' ' ' ILE . . . -93.61 -97.88 1.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -108.22 -30.52 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.461 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -106.51 152.61 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.6 -25.72 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.461 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 1.7 m80 -64.1 -12.42 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 33.1 p -104.93 144.09 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.666 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.7 t80 -148.54 113.7 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.45 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -112.8 170.54 8.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.6 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 4.8 p90 -163.8 143.03 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mt -95.4 134.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 25.8 ptm -132.78 139.35 47.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.49 0.186 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -118.02 146.75 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 11.9 t -118.37 129.72 55.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.579 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.0 m-70 -119.36 110.78 17.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.556 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 21.5 t -90.06 164.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.0 m-85 -154.26 166.55 32.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.567 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 16.3 t-105 -125.0 93.45 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' B' ' 95' ' ' HIS . 26.4 m -83.95 160.65 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.8 mt-10 -141.67 131.32 12.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -74.97 -60.84 0.06 OUTLIER 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.991 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' B' ' 120' ' ' ALA . 14.1 p-10 -103.35 170.32 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.47 28.47 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . . . -60.94 -42.15 97.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' B' ' 124' ' ' GLU . 2.0 m120 -77.55 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 1.7 t -41.47 -54.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.8 p -58.17 -38.32 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 121' ' ' ASN . 21.5 tt0 -69.62 -62.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.431 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -41.96 -28.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' B' ' 124' ' ' GLU . 21.3 t -92.11 -42.83 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 124' ' ' GLU . 51.4 tt0 -57.22 -37.15 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.24 -26.96 32.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -53.35 -58.83 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.423 ' N ' HG22 ' B' ' 82' ' ' VAL . 87.0 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' B' ' 120' ' ' ALA . 89.2 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -46.76 -42.32 16.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -62.61 -38.99 92.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.423 ' CE ' ' HB2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -80.36 -9.64 59.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -80.11 -20.62 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 -51.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.58 -21.56 65.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 43.88 -169.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.423 ' HB2' ' CE ' ' A' ' 14' ' ' MET . 85.0 t80 -138.26 137.61 37.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.516 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 24.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -39.13 22.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.516 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 64.5 149.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' B' ' 17' ' ' LYS . 52.3 m-85 -162.14 93.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' B' ' 70' ' ' GLU . 1.7 tmm_? -70.55 102.43 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.3 -164.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -106.52 170.72 7.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.11 112.12 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' CE2' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -75.51 -33.62 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.408 ' N ' HD11 ' B' ' 44' ' ' LEU . . . 125.91 -175.09 17.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -103.79 127.45 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.98 133.93 22.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.94 137.06 21.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 17.3 m -126.2 -174.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -54.6 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -89.66 151.6 45.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.8 8.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 25.9 m -129.91 159.9 41.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.74 134.01 3.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mmm -77.44 -41.6 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -26.22 9.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 18.8 m -90.05 -33.93 16.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.75 -60.3 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.1 m-80 -49.7 -53.61 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.53 -49.86 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.64 19.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.2 mt -49.08 -46.59 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.85 -46.85 85.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -55.93 -65.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.408 HD11 ' N ' ' B' ' 24' ' ' GLY . 25.5 mt -49.63 -53.5 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.43 ' CE ' HG23 ' B' ' 96' ' ' THR . 3.6 mmt -37.28 -66.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.431 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.5 t -69.25 -53.24 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.431 ' C ' ' O ' ' B' ' 46' ' ' THR . 2.4 m -36.91 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 45' ' ' MET . 69.1 m -91.46 164.66 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 51.4 m -88.16 176.85 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.82 -36.74 42.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.66 -25.36 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -36.41 84.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -55.67 110.69 2.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.01 41.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -79.94 128.77 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.17 168.72 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 99.6 m-20 -115.15 112.12 22.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 tpp -88.85 101.64 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.416 ' ND2' HD13 ' B' ' 68' ' ' ILE . 33.9 m-20 -78.83 132.31 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 37.7 t -134.7 102.4 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -102.69 -154.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 36.2 t0 -39.23 -71.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.459 ' HB2' ' CG1' ' B' ' 82' ' ' VAL . . . -143.37 67.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 87.3 m -157.8 146.07 19.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 37.9 t -133.11 102.86 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.6 m -114.17 146.19 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' B' ' 77' ' ' LEU . 71.4 t -115.36 97.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.416 HD13 ' ND2' ' B' ' 59' ' ' ASN . 11.8 mt -98.26 147.4 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t -56.46 128.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' B' ' 19' ' ' ARG . 0.4 OUTLIER -42.92 -52.31 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.82 120.29 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.7 -13.18 49.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -106.9 18.86 21.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.01 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.0 p -64.65 155.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 67' ' ' VAL . 11.2 mt -126.29 -52.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.472 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.7 t -141.13 131.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -114.13 94.02 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.598 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 6.7 t -96.45 98.46 10.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' B' ' 84' ' ' PHE . 18.1 mmt85 -77.48 118.72 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -46.75 -27.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -74.04 -39.18 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.0 m-85 -81.33 -37.93 27.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.41 152.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 33.9 p -129.08 -55.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.453 ' HB3' ' CD1' ' B' ' 100' ' ' ILE . 12.5 t80 -127.03 151.91 47.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.412 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -163.62 119.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.86 -158.77 9.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 1.7 m -124.55 170.66 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.423 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -96.65 -121.56 4.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -81.87 -30.62 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.02 139.42 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.49 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -44.98 -29.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.537 HG21 ' CE3' ' B' ' 114' ' ' TRP . 71.9 p -100.94 139.66 36.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.583 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 15.7 t80 -139.12 119.12 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.44 ' HB1' ' CG2' ' B' ' 112' ' ' VAL . . . -119.66 168.22 11.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.5 p90 -160.61 145.55 14.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' B' ' 87' ' ' PHE . 3.7 mt -95.9 124.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -121.73 143.62 49.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.501 0.191 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -128.33 128.64 44.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.06 118.81 36.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 90.4 m-70 -113.56 110.39 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.543 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 33.6 t -90.78 160.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 64.8 m-85 -153.85 148.63 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.537 ' CE3' HG21 ' B' ' 96' ' ' THR . 65.3 t-105 -101.93 117.73 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.1 151.65 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.0 mt-10 -134.25 128.62 19.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -57.88 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.974 0.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -103.77 172.11 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -96.91 40.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.427 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . . . -73.78 -63.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.57 -36.53 74.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.583 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.5 t -67.13 -66.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' B' ' 119' ' ' ALA . 77.8 p -48.82 -40.05 27.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.934 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -70.25 -54.2 13.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.418 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.6 -26.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.412 HG12 ' CE ' ' B' ' 88' ' ' MET . 13.3 t -93.57 -50.79 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.418 ' NE2' ' HE3' ' A' ' 13' ' ' LYS . 2.4 tt0 -54.84 -30.07 56.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.43 -27.17 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.21 86.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.408 ' N ' HG22 ' B' ' 82' ' ' VAL . 7.7 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' CG1' ' B' ' 94' ' ' VAL . 83.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -39.56 -52.19 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.049 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -48.34 -51.67 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.2 mtt -60.02 -49.01 79.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -44.04 -33.35 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -111.64 -92.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 16' ' ' GLN . 3.7 m-80 -33.65 -63.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.67 -175.01 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 43.3 t80 -127.32 132.48 50.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -56.78 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 69.38 148.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -157.3 92.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.07 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.52 -162.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -107.75 171.5 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.449 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.5 t80 -127.42 99.29 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.418 ' CB ' ' HB ' ' B' ' 112' ' ' VAL . 0.2 OUTLIER -62.5 -44.88 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.38 -172.91 21.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.545 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 5.7 ttp -107.78 136.23 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.458 ' CD2' ' HG ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -122.38 133.45 24.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 143.25 28.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.68 -168.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -48.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.82 150.03 36.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.77 11.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.53 142.49 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.31 115.55 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.91 -29.58 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -28.04 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -72.23 -57.19 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -60.33 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -49.36 -50.02 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -49.7 4.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.42 -65.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.442 HG12 ' CG1' ' B' ' 112' ' ' VAL . 19.8 mt -44.43 -47.42 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.26 -36.86 73.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 40' ' ' ALA . 1.0 OUTLIER -67.51 -67.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 10.5 mt -49.84 -47.08 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -36.81 -44.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -98.94 -38.24 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.92 -45.7 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -128.75 161.52 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -79.71 176.83 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.599 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -73.28 -43.03 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.27 -38.5 71.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -36.21 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.599 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 20.8 m0 -60.27 111.15 3.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 107.973 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.449 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.97 169.97 21.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -95.63 149.77 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.4 m -152.3 169.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 82.6 m-20 -113.61 107.29 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.4 tpp -82.52 103.56 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' B' ' 68' ' ' ILE . 10.0 m-20 -77.58 129.79 36.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 69.5 t -132.12 99.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -101.27 -161.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' B' ' 61' ' ' ALA . 60.6 t0 -36.96 -66.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.446 ' HB2' ' CG1' ' B' ' 82' ' ' VAL . . . -145.75 68.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 89.0 m -158.78 146.01 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 80' ' ' CYS . 42.6 t -133.55 97.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -112.46 138.76 48.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -107.49 97.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.415 HD11 ' ND2' ' B' ' 59' ' ' ASN . 10.6 mt -92.96 148.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -56.85 138.26 53.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -50.07 -61.22 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.38 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -53.27 132.58 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -97.24 -18.62 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -105.79 40.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -139.53 85.04 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -61.56 154.45 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 mt -122.98 -52.44 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -140.01 131.1 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -113.45 93.81 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 9.8 t -96.8 91.05 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' B' ' 84' ' ' PHE . 14.8 mmt180 -70.32 114.46 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -41.02 -37.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -47.91 80.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 81' ' ' ARG . 22.4 m-85 -71.02 -39.36 72.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.511 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.74 144.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 14.6 p -115.3 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' B' ' 88' ' ' MET . 4.9 t80 -142.28 156.69 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.624 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -160.9 135.85 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.8 -156.18 9.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.5 164.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -90.49 -112.44 1.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' B' ' 93' ' ' ASP . 0.0 OUTLIER -92.16 -33.26 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -118.86 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' B' ' 96' ' ' THR . 33.4 m -53.33 -39.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.465 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 6.8 m80 -38.83 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.554 HG22 ' CE3' ' B' ' 114' ' ' TRP . 16.2 p -95.68 146.05 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.61 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 42.1 t80 -143.09 113.56 7.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -112.24 172.71 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.575 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.3 p90 -168.15 143.25 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mt -94.8 134.89 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptm -135.2 147.31 49.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 29.8 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' B' ' 109' ' ' GLU . 5.5 mp0 -118.33 129.49 55.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.97 119.09 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.0 m-70 -103.02 164.5 11.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.546 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.589 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 13.8 t -140.65 153.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 29.7 m-85 -150.3 154.11 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.554 ' CE3' HG22 ' B' ' 96' ' ' THR . 66.2 t-105 -111.32 115.34 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.95 161.76 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 49.4 mt-10 -140.81 133.58 14.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.1 Cg_endo -75.01 -59.3 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.005 0.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -106.84 166.34 10.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.74 51.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -85.29 -48.05 9.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -73.43 -36.38 65.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.06 -72.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.61 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 4.9 m -47.3 -33.23 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 10.2 tt0 -68.58 -59.91 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.05 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' B' ' 129' ' ' ALA . 8.3 t -89.17 -59.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.47 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -47.57 -37.27 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.7 -35.98 73.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 126' ' ' VAL . . . -55.11 -49.57 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.422 ' N ' HG22 ' B' ' 82' ' ' VAL . 23.2 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -24.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ASN . 13.3 tttt -78.71 -69.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -16.38 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -144.47 -46.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 m120 -59.6 -22.24 61.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.89 -157.68 3.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -163.45 135.98 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.51 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 66.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -39.25 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 64.39 150.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.481 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 56.8 m-85 -159.82 91.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -67.53 104.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.07 -164.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.27 171.5 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.99 108.93 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 -170.47 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -108.99 126.33 52.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.485 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.16 134.02 21.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.4 Cg_endo -75.02 144.52 30.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.03 175.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -113.98 -55.4 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -89.79 149.25 41.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.434 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -29.82 7.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.61 129.31 66.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.51 134.67 1.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -40.29 52.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -34.94 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -25.63 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 tp -79.25 -58.24 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.34 -44.55 72.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -44.06 -46.47 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -64.2 -64.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -41.33 -50.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -61.58 -40.51 95.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -62.42 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -52.63 -45.87 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 1.4 mmt -40.47 -48.58 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -90.01 -38.41 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -39.55 -66.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -108.34 -175.51 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 33.1 m -99.68 171.54 7.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.69 -31.57 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.65 -30.02 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.68 -41.55 95.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.6 m0 -49.74 110.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 158.06 42.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -84.04 133.98 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.37 -177.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 77.1 m-20 -130.35 109.13 10.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.2 ttm -84.44 102.34 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 66' ' ' THR . 5.2 m-80 -79.4 129.22 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -132.97 104.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -105.51 -154.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' B' ' 61' ' ' ALA . 11.2 t70 -39.99 -67.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.489 ' CB ' HG23 ' B' ' 82' ' ' VAL . . . -147.43 67.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 60.6 m -158.86 134.13 8.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 49.7 t -121.94 96.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.41 ' O ' ' N ' ' B' ' 59' ' ' ASN . 25.1 m -110.31 148.79 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' B' ' 77' ' ' LEU . 61.6 t -115.52 101.13 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 14.7 mt -101.01 137.22 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.401 ' O ' ' O ' ' B' ' 72' ' ' ASN . 4.8 t -41.81 151.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.408 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -67.5 -57.38 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' B' ' 69' ' ' SER . 60.7 m-20 -72.93 140.61 47.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -0.97 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.43 2.13 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -102.14 99.23 9.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.99 162.91 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 67' ' ' VAL . 15.2 mt -134.62 -48.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 t -146.65 142.33 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -124.41 95.05 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' B' ' 99' ' ' PHE . 13.6 t -96.15 92.22 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' B' ' 84' ' ' PHE . 22.5 mmt180 -78.44 116.32 18.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.489 HG23 ' CB ' ' B' ' 63' ' ' ALA . 24.2 m -38.59 -45.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.432 ' N ' HG22 ' B' ' 82' ' ' VAL . 0.2 OUTLIER -52.97 -50.74 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' B' ' 81' ' ' ARG . 29.5 m-85 -72.6 -37.25 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -43.2 144.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -118.01 -51.79 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -140.6 152.91 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.51 130.7 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.063 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.0 -156.64 9.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.7 m -127.53 166.74 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.75 -117.49 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -91.95 -29.8 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.21 136.8 48.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 m -74.81 -3.43 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 11.7 m80 -76.87 -19.6 57.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.7 p -102.35 160.92 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.6 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 53.9 t80 -157.68 113.65 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.97 156.48 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -150.1 141.89 23.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.88 124.29 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -121.46 148.06 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.477 0.18 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -116.98 128.25 55.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 30.4 t -99.29 116.43 31.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.562 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.2 m-70 -107.55 109.1 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.504 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 41.8 t -90.3 158.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.7 m-85 -151.5 148.36 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -103.28 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.036 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -111.16 153.61 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.57 130.9 19.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.623 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -74.94 -58.55 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.014 -0.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -102.89 167.2 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.84 52.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -85.43 -51.13 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -64.22 -41.08 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.409 ' O ' ' CG2' ' B' ' 126' ' ' VAL . 2.6 t -60.83 -67.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.6 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 3.7 m -53.12 -32.41 47.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 8.0 tp10 -70.68 -53.72 14.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.481 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.53 -19.5 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 14.9 t -93.59 -53.57 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -52.22 -24.18 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.83 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.59 85.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 14' ' ' MET . 54.4 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 9.1 m -39.84 -48.73 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -51.89 -48.7 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.2 mtt -71.55 -13.27 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 4.3 mt-30 -87.05 -18.81 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -129.46 -96.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 16' ' ' GLN . 8.4 m-80 -34.67 -58.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.45 177.84 42.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.535 ' CE2' ' HE3' ' B' ' 88' ' ' MET . 85.2 t80 -121.85 139.15 53.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.431 HG22 ' N ' ' B' ' 16' ' ' GLN . 2.8 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.431 ' N ' HG22 ' B' ' 15' ' ' VAL . 13.7 mt-30 -83.64 -56.49 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 16' ' ' GLN . 56.1 mttt 69.2 145.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 96.7 m-85 -157.24 103.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -71.84 98.75 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -123.65 -165.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.7 tt0 -105.02 171.08 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.72 110.01 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.48 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -70.72 -33.62 71.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.67 -176.0 16.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.481 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -100.49 128.59 46.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.481 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.64 134.69 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 142.53 27.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' B' ' 108' ' ' PHE . 17.1 m -131.61 -168.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.43 -56.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mmt-85 -89.21 150.49 45.06 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.476 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.4 Cg_endo -75.04 -19.22 17.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.74 143.25 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.11 137.18 2.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -38.22 45.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.89 -36.59 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -64.09 -40.26 95.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.02 -70.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.8 m-80 -40.98 -50.98 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.9 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.405 ' O ' ' CG ' ' B' ' 45' ' ' MET . 9.8 mt -42.38 -47.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.02 -44.75 96.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.68 -69.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' B' ' 45' ' ' MET . 16.8 mt -46.25 -52.49 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.02 -66.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.401 HG21 ' N ' ' B' ' 47' ' ' SER . 5.2 t -69.79 -50.69 40.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.401 ' N ' HG21 ' B' ' 46' ' ' THR . 0.4 OUTLIER -38.79 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -78.96 -175.59 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 68.1 m -105.37 -176.93 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -82.07 -34.28 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.63 -29.0 56.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.92 -42.26 97.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -50.8 110.3 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.82 40.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.06 130.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.92 -177.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 85.9 m-20 -131.27 112.66 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.423 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 26.9 ttm -84.11 99.76 10.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' B' ' 65' ' ' VAL . 5.5 m-80 -78.35 117.48 19.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.423 ' CG2' ' HG2' ' B' ' 58' ' ' MET . 84.0 t -130.16 102.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -118.38 -139.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -32.65 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.491 ' CB ' HG23 ' B' ' 82' ' ' VAL . . . -146.53 59.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -151.72 123.41 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' B' ' 80' ' ' CYS . 66.3 t -108.43 97.45 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.1 m -110.88 141.55 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 77' ' ' LEU . 94.0 t -105.65 98.67 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' B' ' 73' ' ' GLU . 35.1 mt -93.26 145.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.68 140.11 52.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.035 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -60.66 -62.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -61.0 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -178.95 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' B' ' 68' ' ' ILE . 0.5 OUTLIER -136.29 -44.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.57 22.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -114.25 97.77 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.2 t -75.02 153.79 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 67' ' ' VAL . 23.8 mt -122.39 -52.66 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.5 t -135.99 136.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -117.25 94.8 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 12.0 t -97.52 98.15 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' B' ' 82' ' ' VAL . 10.4 mmt180 -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.491 HG23 ' CB ' ' B' ' 63' ' ' ALA . 21.7 m -38.54 -51.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -47.8 -51.57 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' B' ' 81' ' ' ARG . 8.2 m-85 -70.45 -41.56 72.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.484 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -45.07 142.11 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -117.49 -54.85 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.417 ' HB3' ' CD1' ' B' ' 100' ' ' ILE . 13.3 t80 -133.78 152.36 51.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.535 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -158.36 133.89 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.46 -151.61 8.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.419 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 1.9 m -130.52 165.75 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.26 -106.45 0.87 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.47 135.53 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' B' ' 96' ' ' THR . 20.8 m -62.59 -38.48 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' B' ' 94' ' ' VAL . 5.3 m80 -39.58 -32.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.41 ' N ' ' C ' ' B' ' 94' ' ' VAL . 40.5 p -92.22 155.33 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.652 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 25.6 t80 -154.62 116.63 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -121.0 163.16 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.587 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.6 p90 -156.41 143.65 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.417 ' CD1' ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.63 125.87 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.404 ' SD ' ' CD2' ' B' ' 111' ' ' HIS . 28.7 ptm -123.92 147.65 47.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 51.5 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 13.0 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.521 0.201 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -129.09 132.44 47.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.6 t -104.27 105.14 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.6 m-70 -99.45 107.74 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.574 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.568 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 30.7 t -90.09 160.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 42.9 m-85 -151.36 164.34 36.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -119.74 109.63 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.02 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.72 161.83 14.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.9 mt-10 -142.77 136.16 14.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.0 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.973 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 118' ' ' ASN . 8.0 p-10 -110.1 167.15 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.18 45.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.01 -31.75 21.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -84.28 -41.37 16.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.652 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.2 t -64.98 -64.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.8 p -49.41 -31.86 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -74.89 -52.71 10.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.592 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.03 -18.73 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 18.9 t -93.73 -37.84 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.84 -41.37 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.78 -59.05 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 2.7 m -62.31 -13.56 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' ASN . 1.5 ttpt -87.02 -70.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.412 ' HA ' ' CA ' ' A' ' 18' ' ' GLY . 10.7 mtt -47.68 -24.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -51.41 -57.32 9.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -115.36 -39.83 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.4 m-80 -69.86 -20.57 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.412 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 44.52 -167.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 93.0 t80 -144.1 139.58 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.447 HG13 ' N ' ' B' ' 16' ' ' GLN . 71.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.447 ' N ' HG13 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -56.61 -47.48 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 47.9 mttt 64.27 149.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' B' ' 125' ' ' ALA . 56.1 m-85 -159.68 104.07 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 118.56 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.83 -166.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -108.53 170.9 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . 0.401 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.0 OUTLIER -122.32 113.76 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.71 -46.76 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.29 177.62 15.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ttp -96.93 128.91 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.462 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -114.52 134.48 22.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 142.29 27.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.28 -168.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -82.54 150.83 64.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.12 9.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.34 151.45 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 128.83 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.13 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 -21.53 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -84.77 -26.93 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -77.56 -66.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.9 m-80 -40.71 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -38.77 -42.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.063 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.462 ' O ' ' CG ' ' B' ' 45' ' ' MET . 4.1 mt -41.18 -51.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.61 -40.88 80.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.6 OUTLIER -61.45 -69.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 26.8 mt -47.79 -48.86 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -38.01 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.425 HG21 ' N ' ' B' ' 47' ' ' SER . 4.6 t -68.72 -51.16 44.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.425 ' N ' HG21 ' B' ' 46' ' ' THR . 0.5 OUTLIER -36.94 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.969 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -80.78 177.9 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 46.9 m -100.29 177.49 5.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -79.64 -36.59 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.4 -21.11 53.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.68 -40.77 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.561 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 17.5 m0 -50.62 106.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.96 147.19 33.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 147.49 40.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.73 177.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -121.37 107.22 12.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.7 tpp -82.49 106.42 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -84.25 117.4 23.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 39.2 t -117.46 97.75 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -93.78 -168.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -39.05 -58.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.46 ' CB ' HG12 ' B' ' 82' ' ' VAL . . . -148.04 65.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 21.4 m -160.08 137.44 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.98 96.39 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.411 ' CG2' ' HG3' ' B' ' 79' ' ' GLU . 26.5 m -111.05 147.25 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.74 99.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 17.8 mt -94.19 147.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.91 130.32 45.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.41 -53.56 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -65.06 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.41 122.39 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -4.2 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.3 29.76 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -126.56 89.87 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.98 147.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.5 mt -120.3 -52.9 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.35 139.91 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.411 ' HG3' ' CG2' ' B' ' 66' ' ' THR . 5.1 tt0 -125.87 95.68 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' B' ' 99' ' ' PHE . 22.7 t -95.28 88.93 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.51 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 1.4 mpt_? -63.73 112.26 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.46 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -40.71 -44.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -57.57 -44.84 85.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 14.0 m-30 -75.9 -30.99 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.479 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.7 OUTLIER -49.29 131.19 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 -60.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' B' ' 88' ' ' MET . 12.2 t80 -138.68 163.8 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.643 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.5 OUTLIER -169.91 131.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.67 -151.08 5.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.42 HG22 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -127.56 167.17 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.459 ' CA ' HD11 ' B' ' 41' ' ' ILE . . . -87.46 -106.59 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.99 -31.78 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.04 147.02 33.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 m -77.07 -3.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.631 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 6.1 m80 -77.02 -23.32 52.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.0 p -96.22 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.494 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 25.0 t80 -155.87 112.65 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -110.69 169.83 8.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.566 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 5.3 p90 -163.41 141.5 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -94.62 129.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.6 ptm -125.49 148.43 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.483 0.183 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -124.31 133.33 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 53.6 t -107.76 110.99 22.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' B' ' 98' ' ' ALA . 97.4 m-70 -100.64 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.579 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 5.1 t -143.77 152.97 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 25.6 m-85 -148.82 156.47 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -106.73 116.35 31.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.44 151.23 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.7 OUTLIER -135.51 128.68 18.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.631 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -59.76 0.11 OUTLIER 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 0.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' B' ' 120' ' ' ALA . 42.8 p30 -101.3 177.16 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.65 43.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.419 ' HB3' ' ND2' ' B' ' 118' ' ' ASN . . . -86.03 -31.66 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -89.7 -17.53 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.494 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.2 t -87.18 -71.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.415 ' O ' ' N ' ' B' ' 127' ' ' GLN . 18.6 p -45.26 -32.56 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' B' ' 127' ' ' GLN . 27.2 tp10 -68.58 -60.3 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.574 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . . . -48.75 -24.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 t -93.22 -31.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' B' ' 124' ' ' GLU . 5.9 tt0 -74.84 -26.98 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.28 -16.64 32.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.39 -45.64 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' MET . 66.9 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.26 -34.18 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -68.05 -35.65 78.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.459 ' HE1' ' CB ' ' A' ' 19' ' ' TYR . 4.1 mtt -84.11 -11.64 56.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.61 -35.99 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.6 OUTLIER -115.04 -84.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLN . 12.2 m-80 -39.95 -54.13 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.46 -144.25 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 81.6 t80 -165.02 136.09 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.408 HG11 ' N ' ' B' ' 16' ' ' GLN . 73.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.408 ' N ' HG11 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -70.26 -57.58 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 18' ' ' PHE . 41.5 mttt 69.18 148.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' B' ' 17' ' ' LYS . 59.6 m-85 -161.91 104.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -70.63 110.3 5.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.25 -165.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' B' ' 53' ' ' TRP . 2.0 tt0 -109.08 171.26 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.41 106.84 9.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -65.64 -39.48 91.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.54 17.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.403 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -99.96 128.24 46.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.491 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.63 134.04 23.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.491 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 148.25 34.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.79 -167.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -60.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -86.39 152.45 55.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.14 13.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.7 158.73 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.34 136.06 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.55 -49.99 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 111.023 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -39.24 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.8 m -62.17 -33.42 74.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -72.75 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -40.65 -53.32 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -48.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.32 -67.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' B' ' 45' ' ' MET . 13.6 mt -43.76 -46.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.81 -37.19 86.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.6 OUTLIER -67.44 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.428 HD13 ' CG2' ' B' ' 112' ' ' VAL . 34.6 mt -50.5 -36.11 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.2 mmt -53.74 -42.24 67.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.9 t -100.48 -8.94 22.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' ' O ' ' B' ' 43' ' ' ASN . 1.1 t -74.12 -52.77 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -126.09 171.17 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 38.9 m -87.21 -172.96 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.564 ' NZ ' ' CZ2' ' B' ' 114' ' ' TRP . 0.4 OUTLIER -83.46 -37.06 23.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.9 -29.57 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.61 -41.27 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.2 m0 -53.71 109.03 1.29 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.53 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -75.37 131.18 40.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.418 HG13 ' CD1' ' B' ' 77' ' ' LEU . 29.7 m -133.87 171.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -119.17 108.63 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.0 tpp -82.31 99.18 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -78.67 133.16 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 20.0 t -136.87 107.18 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.57 -150.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' B' ' 82' ' ' VAL . . . -148.52 66.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 51.3 m -158.94 133.7 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -120.96 99.15 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.409 ' CG2' ' HG3' ' B' ' 79' ' ' GLU . 40.1 m -115.08 134.46 55.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' B' ' 113' ' ' PHE . 44.6 t -105.13 102.88 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.406 HG23 ' N ' ' B' ' 69' ' ' SER . 15.6 mt -96.27 149.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.406 ' N ' HG23 ' B' ' 68' ' ' ILE . 0.9 OUTLIER -58.25 122.29 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.89 -59.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -60.8 119.05 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.92 -7.94 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.4 26.94 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -133.89 100.32 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.11 152.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.418 ' CD1' HG13 ' B' ' 56' ' ' VAL . 42.2 mt -118.94 -51.97 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.479 HG23 ' CE1' ' B' ' 111' ' ' HIS . 2.4 t -139.79 137.47 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.475 ' O ' ' CE ' ' B' ' 101' ' ' MET . 6.0 tt0 -120.97 94.57 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 9.1 t -99.37 88.54 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' B' ' 84' ' ' PHE . 7.8 mmt85 -69.66 114.09 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.463 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.26 -39.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' B' ' 81' ' ' ARG . 9.3 m-85 -71.78 -38.68 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.45 143.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.267 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 3.1 p -119.21 -51.98 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.963 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -137.31 157.01 47.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.26 141.27 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.86 -149.17 7.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.9 m -127.82 171.33 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.03 -107.5 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -99.04 -29.55 12.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.407 ' O ' ' OG1' ' B' ' 96' ' ' THR . 0.4 OUTLIER -119.98 111.21 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' B' ' 95' ' ' HIS . 9.7 m -40.39 -42.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' B' ' 94' ' ' VAL . 2.0 m80 -38.7 -35.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.0 p -91.05 130.53 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.49 ' HB2' ' CB ' ' B' ' 119' ' ' ALA . 40.7 t80 -129.85 113.06 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.453 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -109.05 165.9 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.615 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.0 p90 -164.87 142.62 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -94.55 129.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 26.5 ptm -119.98 147.71 44.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 156.17 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 35.3 t -114.73 152.06 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.584 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.8 m-70 -140.47 109.83 6.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.61 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 37.0 t -93.8 162.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 33.8 m-85 -151.92 174.11 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.564 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 26.6 t-105 -132.89 94.16 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 14.7 m -94.79 161.2 14.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 10.8 mt-10 -137.21 134.05 18.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.05 -54.91 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.999 0.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -112.92 169.21 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.49 ' CB ' ' HB2' ' B' ' 97' ' ' PHE . . . -91.32 27.38 1.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.42 -33.22 72.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -79.18 -38.55 35.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.534 ' CG2' ' N ' ' B' ' 123' ' ' SER . 0.9 OUTLIER -74.93 -51.08 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.534 ' N ' ' CG2' ' B' ' 122' ' ' VAL . 98.3 p -56.47 -39.48 73.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.7 -36.3 73.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' B' ' 60' ' ' VAL . . . -71.95 -22.93 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 19.9 t -93.28 -45.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -62.72 -41.52 99.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.89 -23.11 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.67 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 12.8 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' MET . 81.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 19.6 m -43.37 -33.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.1 mtt -72.42 -28.9 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -53.3 -32.77 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -127.29 -82.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.522 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 2.7 m-80 -34.51 -44.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.2 -170.95 46.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.467 ' CE1' ' CE ' ' B' ' 88' ' ' MET . 53.4 t80 -137.69 129.3 28.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.502 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 22.1 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -39.09 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 63.42 151.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 24.3 m-85 -159.17 94.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -71.11 100.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.87 -165.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.1 tt0 -104.3 170.74 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 106.09 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.441 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -68.12 -35.04 77.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.91 -170.71 18.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.0 ttp -107.2 130.67 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -119.69 134.24 23.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 146.1 32.28 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.438 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 16.4 m -137.81 165.75 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.47 -51.65 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -99.31 153.95 37.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -25.02 12.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 23.4 m -130.72 164.4 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.52 125.8 2.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -30.48 68.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.83 -32.22 70.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.438 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 98.3 m -76.35 -51.7 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.4 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -42.2 -50.04 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -50.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -59.25 -68.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.416 HD12 ' CA ' ' B' ' 91' ' ' GLY . 20.9 mt -39.85 -49.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.4 OUTLIER -57.75 -70.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 32.7 mt -45.53 -51.82 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.411 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.1 mmt -36.91 -61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.405 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.0 t -75.88 -40.66 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 46' ' ' THR . 1.9 t -39.02 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -106.04 -176.38 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.508 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 50.3 m -95.33 -174.18 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.56 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.59 -36.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.93 -19.82 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -37.34 77.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 8.6 m0 -57.05 110.49 2.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.3 37.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -85.35 133.11 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.35 168.55 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -118.1 107.31 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 ttm -83.76 103.7 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.409 ' ND2' HD13 ' B' ' 68' ' ' ILE . 9.4 m-20 -79.33 128.87 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 26.2 t -131.89 106.67 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.86 -154.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.44 -59.29 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' B' ' 64' ' ' THR . . . -152.53 67.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 19.9 m -158.01 136.91 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -125.71 96.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.6 m -111.17 145.34 38.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' B' ' 77' ' ' LEU . 83.1 t -110.77 99.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.409 HD13 ' ND2' ' B' ' 59' ' ' ASN . 46.7 mt -95.94 144.57 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.22 127.09 29.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -61.97 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.92 118.76 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.98 -9.47 58.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 25.34 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.81 108.17 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 90.4 t -79.49 149.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 67' ' ' VAL . 17.4 mt -123.2 -49.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.435 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.6 t -141.0 142.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -124.06 97.14 5.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 10.5 t -96.83 99.06 10.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 0.8 OUTLIER -81.86 114.05 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.448 HG21 ' N ' ' B' ' 83' ' ' ARG . 35.8 m -40.31 -33.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.448 ' N ' HG21 ' B' ' 82' ' ' VAL . 0.0 OUTLIER -63.83 -50.47 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 20.2 m-85 -77.91 -19.13 55.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.503 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 1.4 tt -63.58 136.71 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' SER . . . . . 0.413 ' N ' HD23 ' B' ' 85' ' ' LEU . 5.1 p -111.4 -65.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -120.14 154.62 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.467 ' CE ' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -168.54 119.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 -138.1 2.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -136.95 167.77 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.432 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -91.62 -99.84 1.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -104.71 -32.97 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.523 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -107.03 140.17 40.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 m -73.36 -24.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.523 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 2.9 m80 -60.29 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -103.03 157.15 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.68 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 38.7 t80 -158.38 118.14 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -122.5 163.82 19.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.1 p90 -157.3 141.48 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -95.06 124.76 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -120.54 142.93 48.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.488 0.185 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -121.28 132.45 54.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 51.4 t -105.65 117.0 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.326 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 91.5 m-70 -110.24 112.8 24.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.606 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 33.0 t -92.65 164.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 59.1 m-85 -155.89 155.57 33.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -111.99 107.59 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 4.5 m -103.84 151.96 22.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 53.2 mt-10 -134.14 134.38 22.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.029 -0.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 36.4 p30 -107.31 169.59 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.94 41.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.04 -42.91 56.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -74.27 -49.59 22.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.68 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.5 t -53.64 -66.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 58.8 p -44.04 -52.9 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.64 -54.11 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.74 -29.62 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 t -90.01 -37.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -57.84 -38.07 74.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.99 -22.27 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.02 -25.75 60.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' SER . 83.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 46.4 t -38.19 -35.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -71.28 -55.17 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -52.62 -21.07 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 6.0 mt-30 -69.93 -42.82 72.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -103.86 -84.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 4.9 m-80 -39.27 -53.91 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.7 -162.63 49.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 65.3 t80 -139.26 130.75 27.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -60.28 -50.38 73.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 56.3 mttt 59.39 154.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' B' ' 17' ' ' LYS . 73.4 m-85 -161.96 103.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 110.81 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.1 -167.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.436 ' CB ' ' HB3' ' B' ' 114' ' ' TRP . 1.1 tt0 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.81 118.44 27.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.21 -32.91 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.85 -169.56 15.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.458 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -106.13 125.27 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.474 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.12 133.76 22.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.06 158.3 42.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -144.75 -177.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.17 -45.09 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -104.77 154.36 38.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.26 4.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.64 165.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.31 125.65 2.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -70.68 -22.22 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -36.18 50.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -69.53 -51.8 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -50.76 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -47.71 -48.35 29.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.28 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' B' ' 45' ' ' MET . 25.1 mt -40.41 -50.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.7 -43.31 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.405 ' CB ' HD11 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -59.46 -70.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 22.2 mt -46.33 -50.12 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.5 mmt -36.57 -57.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -81.24 -36.83 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -40.73 -67.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -109.87 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 74.8 m -95.29 -178.49 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.97 -38.94 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.37 -31.93 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.51 -43.29 99.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 26.3 m0 -48.37 105.83 0.54 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.01 36.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.27 145.42 35.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' B' ' 67' ' ' VAL . 19.6 m -145.79 -176.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -128.8 110.47 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.468 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 22.7 ttm -82.85 105.71 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -80.96 116.14 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 40.6 t -120.77 98.67 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -98.73 -163.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 2.6 t0 -40.42 -49.07 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' B' ' 82' ' ' VAL . . . -161.64 68.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 20.8 m -160.31 125.85 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.53 95.75 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.472 ' CG2' ' HG3' ' B' ' 79' ' ' GLU . 20.9 m -114.38 144.73 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' B' ' 77' ' ' LEU . 94.0 t -110.02 97.59 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.6 mt -94.67 142.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -51.59 142.92 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -56.98 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -59.44 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -81.56 121.28 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.25 -1.45 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.77 11.3 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -118.72 107.58 13.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 51.0 t -75.24 157.89 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' B' ' 67' ' ' VAL . 17.9 mt -126.76 -48.28 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.53 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.6 t -143.26 145.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.502 ' O ' ' CE ' ' B' ' 101' ' ' MET . 0.9 OUTLIER -128.71 110.02 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.6 t -114.08 88.65 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.4 mpt_? -71.59 123.04 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' B' ' 63' ' ' ALA . 10.9 m -43.47 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' B' ' 81' ' ' ARG . 71.8 mmt-85 -68.71 -46.6 68.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' B' ' 81' ' ' ARG . 12.1 m-85 -78.04 -39.74 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.432 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.11 128.23 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 5.7 p -99.02 -58.13 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 71.1 t80 -145.03 153.03 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.521 ' HE3' ' CD2' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -155.3 139.63 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.52 -163.38 20.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.454 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 2.0 m -121.06 163.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.0 -131.33 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.54 -22.63 50.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.16 139.1 52.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.03 -17.0 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -68.05 -12.63 61.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.637 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 62.3 p -111.66 132.88 54.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.572 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 64.0 t80 -131.41 119.1 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.453 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -118.03 166.81 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.602 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.5 p90 -161.44 148.06 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.4 mt -100.03 138.66 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.502 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 2.3 ppp? -131.28 159.37 38.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.525 0.202 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.23 145.11 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.8 t -116.52 118.05 31.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.56 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.7 m-70 -109.21 123.81 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.566 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 17.6 t -104.48 165.97 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 53.2 m-85 -153.6 163.57 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.513 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 45.3 t-105 -118.56 105.62 11.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.36 159.88 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 4.3 mt-10 -141.73 130.33 12.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -62.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.013 -0.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -96.94 176.16 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -104.84 38.07 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -74.09 -53.85 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.57 -40.17 96.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.05 -71.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.572 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 72.6 m -45.93 -29.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 37.3 tp10 -74.56 -52.03 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.499 ' O ' ' CG1' ' B' ' 60' ' ' VAL . . . -53.68 -24.35 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 11.9 t -93.37 -39.84 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.48 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.7 30.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.81 -51.43 64.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' B' ' 120' ' ' ALA . 18.1 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 22.8 t -41.89 -31.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 19.9 pttt -80.35 -49.78 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.426 ' HE2' ' CB ' ' A' ' 19' ' ' TYR . 1.6 mtt -59.53 -12.26 6.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 3.0 mt-30 -74.17 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -106.2 -42.35 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' LYS . 15.6 m-80 -73.73 -8.45 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 35.47 -151.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 90.1 t80 -161.46 137.5 8.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -61.41 -50.06 74.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 16' ' ' GLN . 56.5 mttt 60.85 148.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' B' ' 125' ' ' ALA . 77.1 m-85 -157.55 104.98 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 118.58 14.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.416 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -147.76 -162.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.416 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 mt-30 -112.66 169.09 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.73 99.76 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -36.46 79.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.44 -175.23 18.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttp -103.45 131.05 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.91 133.58 23.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 144.59 30.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.48 -165.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.51 -57.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -80.11 151.26 72.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.66 6.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 m -136.27 149.51 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.37 123.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -23.22 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.79 -24.01 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -81.01 -46.98 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.07 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -46.15 -48.31 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.33 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.4 mt -40.78 -41.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.8 -50.7 40.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -60.28 3.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' B' ' 112' ' ' VAL . 54.0 mt -53.04 -52.79 57.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mmt -39.31 -65.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.44 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.1 t -67.83 -46.9 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 46' ' ' THR . 40.8 t -35.89 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -95.39 -176.79 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.524 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 57.2 m -96.59 -178.3 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.083 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.97 -39.09 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.91 -26.87 49.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.29 -31.4 70.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 9.5 m0 -63.53 112.31 6.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 168.03 25.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -94.42 131.38 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.19 -175.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -132.24 107.38 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.0 ttm -83.03 105.08 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -85.62 128.69 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 21.9 t -132.2 101.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -104.83 -149.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -37.09 -84.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' B' ' 82' ' ' VAL . . . -135.15 65.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -157.65 144.06 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.39 100.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.476 ' CG2' HG22 ' B' ' 76' ' ' VAL . 50.8 m -113.81 129.92 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.54 103.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mt -99.49 155.54 4.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.44 146.02 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -55.32 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.89 -77.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 1.5 m120 -40.75 -68.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 2.5 tt0 85.96 -13.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -122.69 11.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -108.86 95.02 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.476 HG22 ' CG2' ' B' ' 66' ' ' THR . 13.1 p -54.28 138.12 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -117.08 -57.61 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.46 HG22 ' CE1' ' B' ' 111' ' ' HIS . 2.7 t -134.19 126.18 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -112.27 94.02 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.5 t -96.98 91.27 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.574 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 12.4 mmt180 -69.37 124.29 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -55.34 -19.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -81.4 -27.08 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 21.2 m-85 -98.56 -32.51 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.481 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.75 135.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' SER . . . . . 0.403 ' OG ' ' CG2' ' B' ' 100' ' ' ILE . 89.8 p -102.55 -66.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.043 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' B' ' 88' ' ' MET . 57.0 t80 -135.54 165.19 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' B' ' 130' ' ' CYS . 0.0 OUTLIER -169.7 134.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.63 -161.47 10.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 1.8 m -126.69 146.76 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.42 -136.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -81.52 -6.4 58.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.22 137.51 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' B' ' 119' ' ' ALA . 17.3 m -68.89 -22.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -61.08 -21.25 63.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 68.0 p -104.07 134.46 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.606 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 48.2 t80 -134.59 115.52 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.46 171.54 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.575 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.1 p90 -169.79 146.2 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.403 ' CG2' ' OG ' ' B' ' 86' ' ' SER . 4.0 mt -95.12 148.84 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 ptm -141.8 151.55 42.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.545 0.212 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.3 147.4 35.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -119.68 135.4 54.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.46 ' CE1' HG22 ' B' ' 78' ' ' VAL . 92.6 m-70 -121.5 161.45 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.569 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.3 t -144.71 151.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 12.7 m-85 -145.41 161.96 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -115.07 109.62 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.049 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 23.1 m -95.07 162.16 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.255 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.429 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.2 mt-10 -141.12 125.11 10.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -63.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.989 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -93.54 171.02 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 94' ' ' VAL . . . -101.23 44.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . . . -81.41 -59.22 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -57.03 -30.67 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.1 -65.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.606 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 37.3 m -51.0 -37.2 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.41 -53.52 23.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.568 ' CB ' ' CZ ' ' B' ' 18' ' ' PHE . . . -54.4 -20.64 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -93.34 -45.33 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -40.53 97.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.6 63.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.17 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 53.5 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -44.02 -27.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.01 -55.6 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.54 -13.36 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -79.31 -10.23 59.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -157.71 -75.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -41.6 -28.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 52.97 -173.4 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CE2' ' HE2' ' B' ' 88' ' ' MET . 89.1 t80 -136.09 139.4 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.506 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 20.4 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -39.54 20.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 63.2 151.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.563 ' CZ ' ' HB1' ' B' ' 125' ' ' ALA . 31.9 m-85 -159.31 95.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 107.45 4.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.35 -167.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.54 168.84 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.69 117.12 24.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -40.64 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.15 -174.27 20.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ttp -104.65 127.59 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.81 133.78 23.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.5 Cg_endo -75.02 156.42 42.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' B' ' 110' ' ' CYS . 16.7 m -144.84 -163.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -61.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -86.38 154.31 56.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.8 19.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.83 178.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.84 126.39 3.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.77 80.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.93 -44.71 96.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.6 m -55.43 -25.93 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.08 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' SER . 5.1 m-80 -41.98 -47.72 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' ASN . 5.9 t -38.64 -52.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.63 -67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.413 HD13 ' CA ' ' B' ' 91' ' ' GLY . 6.1 mt -43.31 -54.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -54.04 -40.09 66.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -70.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 17.6 mt -47.7 -46.52 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -37.58 -40.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -104.46 -32.55 8.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -39.95 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m -131.36 168.65 17.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 52.7 m -97.16 168.73 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.578 ' HD3' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.26 -39.56 68.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.09 -16.37 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.03 -44.32 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' B' ' 50' ' ' LYS . 27.0 m0 -45.61 107.05 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.74 19.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.1 p -92.64 133.63 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.7 -177.25 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' B' ' 70' ' ' GLU . 17.1 m-20 -132.15 112.81 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.4 ttm -91.62 105.74 17.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.42 ' ND2' HD12 ' B' ' 68' ' ' ILE . 16.9 m-20 -83.68 125.63 32.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 24.6 t -127.05 106.53 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.29 -155.32 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -40.94 -66.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.464 ' CB ' HG12 ' B' ' 82' ' ' VAL . . . -147.5 68.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -158.56 144.4 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -132.18 100.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' B' ' 79' ' ' GLU . 28.2 m -117.22 140.15 49.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' B' ' 77' ' ' LEU . 65.9 t -106.98 100.37 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.42 HD12 ' ND2' ' B' ' 59' ' ' ASN . 40.3 mt -95.76 142.46 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.412 ' O ' ' O ' ' B' ' 72' ' ' ASN . 0.3 OUTLIER -52.14 143.98 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' OD1' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.68 -56.53 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.8 -67.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' B' ' 69' ' ' SER . 42.1 m-20 -94.42 124.49 38.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.78 40.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -44.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 113.76 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.0 t -77.83 152.54 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' B' ' 67' ' ' VAL . 18.3 mt -121.78 -52.56 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.536 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.6 t -140.12 143.52 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.481 ' HG2' ' CZ ' ' B' ' 81' ' ' ARG . 0.7 OUTLIER -127.76 96.78 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.57 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.5 t -98.67 89.96 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.481 ' CZ ' ' HG2' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -64.0 113.72 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -44.78 -27.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.9 OUTLIER -72.07 -43.73 64.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.2 m-30 -75.82 -38.7 57.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.484 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -39.39 151.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -128.33 -55.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' B' ' 88' ' ' MET . 11.3 t80 -129.96 158.14 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.474 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -168.83 132.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.35 -150.95 6.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.148 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.16 166.03 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.413 ' CA ' HD13 ' B' ' 41' ' ' ILE . . . -84.35 -101.86 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -109.49 -22.68 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.04 146.95 41.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' B' ' 119' ' ' ALA . 3.3 m -79.47 -3.78 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 22.0 m80 -76.87 -24.93 52.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 43.3 p -98.5 161.15 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 29.6 t80 -158.51 113.16 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -111.88 173.09 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.57 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -169.61 143.68 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -95.18 131.18 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.5 ptm -119.37 140.76 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.509 0.195 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -112.39 151.32 29.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.45 ' HB2' ' CG1' ' B' ' 28' ' ' VAL . 13.4 t -118.36 152.72 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.536 ' CE1' HG23 ' B' ' 78' ' ' VAL . 94.1 m-70 -135.88 164.53 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.604 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 4.6 t -148.61 152.24 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 14.9 m-85 -148.19 161.26 41.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -114.1 111.05 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -107.35 152.36 24.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 108.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.8 134.11 20.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.568 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -74.98 -54.93 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.0 0.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.461 ' CB ' HG23 ' B' ' 94' ' ' VAL . 16.4 p30 -107.9 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -103.06 32.2 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.28 73.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -83.74 -49.32 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.7 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.1 t -56.39 -61.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.8 p -52.05 -37.8 54.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.9 -56.4 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.563 ' HB1' ' CZ ' ' B' ' 18' ' ' PHE . . . -49.23 -24.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' B' ' 97' ' ' PHE . 20.9 t -93.68 -39.57 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -63.88 -33.41 75.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.07 -26.9 33.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' B' ' 82' ' ' VAL . . . -68.04 -49.72 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.404 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.18 -26.61 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.39 69.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mtt -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.63 -28.57 47.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.85 -83.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 4.3 m-80 -36.52 -47.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.93 -177.28 31.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -125.96 135.64 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.435 HG12 ' N ' ' B' ' 16' ' ' GLN . 75.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.435 ' N ' HG12 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -56.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.476 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 45.9 mttt 65.86 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' B' ' 125' ' ' ALA . 58.8 m-85 -156.88 103.66 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 114.69 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -143.2 -163.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . 0.412 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -112.97 164.02 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -118.96 118.56 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -33.63 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.73 -176.17 16.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.426 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -102.37 130.57 49.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.488 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.48 134.31 22.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.95 136.39 20.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -130.97 -170.42 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.59 -62.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -79.85 146.38 64.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.429 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.03 -19.86 17.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.39 150.98 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 140.78 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -45.19 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.73 67.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -71.45 -43.4 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.5 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.65 -52.23 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.29 -50.82 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.7 -70.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' B' ' 45' ' ' MET . 8.9 mt -40.18 -47.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.35 -45.65 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -59.97 -64.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.417 ' HA ' ' CB ' ' B' ' 47' ' ' SER . 57.5 mt -50.65 -50.11 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.8 mmt -36.92 -56.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.2 t -82.01 -33.84 29.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 3.7 t -43.97 -63.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -117.13 -178.16 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -94.37 -176.54 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.531 ' NZ ' ' CZ2' ' B' ' 114' ' ' TRP . 1.0 OUTLIER -78.5 -38.12 41.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -29.79 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -40.27 86.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.517 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.4 m0 -55.79 110.78 2.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.73 38.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -85.46 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.6 m -131.21 174.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 59.0 m-20 -120.69 108.25 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 ttm -82.2 102.93 11.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.413 ' ND2' HD13 ' B' ' 68' ' ' ILE . 4.6 m-20 -80.49 132.88 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 25.0 t -136.98 98.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.96 -157.45 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.6 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.476 ' HB3' ' CG1' ' B' ' 82' ' ' VAL . . . -140.48 66.64 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 97.3 m -158.46 148.35 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.58 96.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.3 m -108.33 151.4 26.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 77' ' ' LEU . 79.9 t -119.86 106.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.413 HD13 ' ND2' ' B' ' 59' ' ' ASN . 2.9 mt -104.33 149.61 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.62 134.23 56.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.4 OUTLIER -52.75 -52.63 55.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.59 -79.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.83 125.71 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.41 -15.61 32.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.3 27.44 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -127.99 87.99 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.59 151.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 67' ' ' VAL . 24.6 mt -121.46 -53.53 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' B' ' 111' ' ' HIS . 2.1 t -143.17 141.74 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -120.61 93.96 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.592 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 9.4 t -98.21 96.48 8.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -76.87 120.13 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' B' ' 63' ' ' ALA . 1.1 t -51.08 -22.53 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -75.81 -41.43 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -85.19 -29.68 24.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -44.16 135.72 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 31' ' ' PRO . 61.0 p -104.3 -60.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 88' ' ' MET . 13.1 t80 -132.32 158.16 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -166.46 130.9 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.79 -139.35 2.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.6 m -135.67 164.57 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.423 ' CA ' HD12 ' B' ' 41' ' ' ILE . . . -87.8 -94.36 0.97 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -112.06 -37.08 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 142.86 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 4.7 m -76.18 -16.14 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -68.66 -10.65 57.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.655 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 41.6 p -111.7 157.94 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.604 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 53.4 t80 -157.67 115.23 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -116.66 171.07 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.592 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.6 p90 -163.08 143.92 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mt -94.33 142.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' MET . . . . . 0.55 ' CG ' ' HG3' ' B' ' 109' ' ' GLU . 25.2 ptm -145.52 144.64 30.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' B' ' 31' ' ' PRO . 20.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.523 0.201 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . 0.55 ' HG3' ' CG ' ' B' ' 101' ' ' MET . 12.6 pt-20 -126.29 131.53 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 52.5 t -101.08 124.19 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.2 m-70 -111.97 109.73 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.55 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 38.6 t -89.71 163.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.1 m-85 -153.94 166.7 32.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.531 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 61.0 t-105 -122.08 111.78 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -110.36 156.01 21.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.289 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 7.6 mt-10 -136.65 135.5 20.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.02 -55.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.982 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -107.67 177.59 4.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.85 48.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.25 -39.08 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.43 -43.2 27.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.604 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.4 t -62.51 -61.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 26.3 p -52.5 -36.15 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.51 -55.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.572 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.53 -22.12 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 13.5 t -93.6 -50.27 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.54 -36.67 64.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.95 -25.88 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.06 -51.01 43.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.412 ' N ' HG23 ' B' ' 82' ' ' VAL . 66.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.49 ' CD1' ' HB2' ' B' ' 118' ' ' ASN . 13.8 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.4 m -51.05 -21.81 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -87.43 -27.97 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.1 mtt -80.48 -16.24 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -76.52 -19.06 58.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.4 mp0 -119.18 -97.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -40.4 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 58.61 -144.36 43.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.78 129.54 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -55.37 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttt 68.35 145.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -156.22 93.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.56 100.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -128.07 -163.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -107.68 167.16 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.6 115.14 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -77.27 -41.38 41.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.94 -174.73 19.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.112 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.8 ttp -102.83 132.34 49.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.489 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.97 134.28 23.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 14.6 m -139.73 179.32 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -122.83 -50.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -76.13 135.17 70.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.27 20.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.13 -179.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.25 141.05 11.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 30.6 mmm -80.21 -40.33 27.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 0.807 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -34.76 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 16.2 m -85.26 -31.59 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.71 -61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -50.65 -45.86 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -39.61 -46.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -61.66 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.42 HG12 ' CG1' ' B' ' 112' ' ' VAL . 11.3 mt -42.09 -42.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.87 -53.57 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -51.2 -60.36 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' B' ' 45' ' ' MET . 76.4 mt -53.41 -54.81 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.402 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.3 mmt -37.46 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.436 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.2 t -67.79 -53.69 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 46' ' ' THR . 3.7 m -36.04 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -76.32 -176.55 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.533 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.5 m -105.34 -177.05 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.76 -35.92 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.21 -19.67 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -38.29 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 14.1 m0 -54.63 109.03 1.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.71 42.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.2 p -79.44 132.37 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.35 171.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 91.0 m-20 -120.62 108.7 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.6 ttm -82.28 106.89 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.72 130.23 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 36.7 t -131.72 103.21 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.1 -160.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.7 OUTLIER -40.64 -58.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.436 ' CB ' HG13 ' B' ' 82' ' ' VAL . . . -152.68 69.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 16.0 m -160.82 140.89 11.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.3 t -128.61 96.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 91.4 m -112.79 132.08 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' B' ' 77' ' ' LEU . 98.5 t -103.11 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -96.94 152.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -60.63 136.37 58.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.402 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.68 -56.87 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -63.6 122.2 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -12.39 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -109.51 32.05 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -130.89 89.68 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 p -65.19 152.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 67' ' ' VAL . 13.7 mt -122.46 -51.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.47 123.74 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -109.3 93.88 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.45 ' SG ' ' CD1' ' B' ' 85' ' ' LEU . 20.0 t -97.02 99.64 11.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.1 mpt_? -73.75 115.18 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.436 HG13 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.83 -27.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' B' ' 81' ' ' ARG . 24.3 mmt180 -70.2 -46.91 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' B' ' 81' ' ' ARG . 11.6 m-85 -75.63 -35.11 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.45 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -42.48 148.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 77.8 p -122.16 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' B' ' 100' ' ' ILE . 30.8 t80 -122.18 162.74 20.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.85 119.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.85 -161.73 12.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 1.7 m -121.17 172.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 0.73 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.455 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -106.4 -120.84 4.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.08 140.97 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 11' ' ' LEU . 3.3 m -72.72 -34.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -42.6 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.425 ' N ' ' C ' ' B' ' 94' ' ' VAL . 21.0 p -100.32 139.23 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.601 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 68.9 t80 -134.9 112.86 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -108.54 170.07 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' B' ' 99' ' ' PHE . 5.2 p90 -164.65 144.63 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' B' ' 87' ' ' PHE . 5.3 mt -95.02 133.33 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.8 ptm -133.9 142.89 47.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.468 0.175 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -115.16 124.01 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.32 121.87 42.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 96.9 m-70 -110.06 163.53 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.568 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.6 t -143.41 154.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 21.2 m-85 -147.31 168.98 20.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 t-105 -124.87 111.89 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -111.71 158.93 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 108.365 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 41.1 mt-10 -134.81 132.86 20.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -55.97 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.004 -2.499 . . . . 0.0 111.0 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.49 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 50.8 p-10 -106.56 177.89 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' B' ' 97' ' ' PHE . . . -98.9 39.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.37 -65.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -56.76 -19.57 17.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' B' ' 126' ' ' VAL . 2.0 t -87.06 -62.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.601 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 45.9 m -57.65 -31.26 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.2 -58.54 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.47 -22.06 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 21.2 t -93.24 -34.36 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -63.37 -41.7 98.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.23 -20.26 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.17 -57.22 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.426 ' N ' HG22 ' B' ' 82' ' ' VAL . 11.1 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 13' ' ' LYS . 88.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -38.95 -30.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.9 ttpt -75.57 -68.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 19' ' ' TYR . 2.8 mmt -41.29 -36.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.32 -63.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.1 OUTLIER -94.75 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -44.65 -63.7 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -172.87 51.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 42.3 t80 -146.82 134.27 20.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' CG ' HG11 ' B' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.409 HG11 ' N ' ' B' ' 16' ' ' GLN . 76.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.409 ' N ' HG11 ' B' ' 15' ' ' VAL . 0.6 OUTLIER -62.07 -56.24 20.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.435 ' CG ' ' OD1' ' B' ' 59' ' ' ASN . 47.3 mttt 68.59 147.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.459 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 45.6 m-85 -157.99 92.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -64.01 100.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.41 -164.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -105.35 171.4 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -129.12 102.51 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.521 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -62.26 -40.07 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.41 -170.93 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.475 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.9 ttp -109.29 126.31 53.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.494 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.16 133.46 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.494 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 145.4 31.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.56 -170.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.83 -53.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -87.65 152.45 51.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -75.03 -31.28 6.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . 0.46 HG11 ' CG ' ' A' ' 20' ' ' GLU . 32.6 m -129.2 171.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.82 132.96 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.078 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -82.25 -20.58 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -81.54 -22.77 37.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -85.02 -42.91 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.26 -60.45 3.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -45.78 -47.9 15.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -48.59 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -58.76 -64.86 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' B' ' 40' ' ' ALA . 13.6 mt -40.48 -45.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.2 -48.01 80.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -59.8 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.416 ' HA ' ' CB ' ' B' ' 47' ' ' SER . 41.9 mt -54.1 -51.42 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -36.72 -48.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' SER . 2.4 t -88.0 -36.74 16.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.7 t -38.57 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.1 m -113.85 -176.39 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -94.87 -175.47 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.527 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.1 ttmt -79.65 -37.21 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -28.73 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.04 -43.53 98.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.527 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -52.28 108.64 1.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.59 41.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -84.08 131.94 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.25 169.39 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 92.2 m-20 -115.12 109.77 18.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.1 ttm -82.4 101.01 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.435 ' OD1' ' CG ' ' B' ' 17' ' ' LYS . 5.7 m-20 -76.5 132.84 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 56.8 t -136.76 98.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.63 -154.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.32 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.458 ' HB1' ' CG1' ' B' ' 82' ' ' VAL . . . -137.11 65.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -156.96 143.63 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.72 96.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 59' ' ' ASN . 40.6 m -107.78 151.62 25.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 77' ' ' LEU . 80.4 t -119.72 100.58 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.42 HD12 ' ND2' ' B' ' 59' ' ' ASN . 4.3 mt -98.87 148.7 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -56.57 133.64 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -46.69 -51.72 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -60.54 120.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.16 -5.06 58.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.06 22.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -119.6 88.32 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.05 147.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 67' ' ' VAL . 22.5 mt -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' B' ' 111' ' ' HIS . 1.4 t -136.29 137.06 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -117.14 93.99 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 36.9 t -96.99 87.59 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 84' ' ' PHE . 11.8 mmt180 -70.85 112.61 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.458 ' CG1' ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.51 -40.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -51.47 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.6 m-85 -72.48 -38.3 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.48 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.9 OUTLIER -39.95 134.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.71 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 75.3 t80 -135.23 166.08 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.17 138.19 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.99 -152.13 7.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.76 168.65 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.61 -112.27 3.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' B' ' 93' ' ' ASP . 5.8 pttp -88.66 -47.77 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 0.5 OUTLIER -106.6 117.38 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 11' ' ' LEU . 35.0 m -44.97 -31.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -47.75 -24.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.465 HG21 ' CE3' ' B' ' 114' ' ' TRP . 65.2 p -102.0 132.38 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -130.5 121.42 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.447 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -118.01 168.49 10.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 5.0 p90 -165.98 142.16 5.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' B' ' 108' ' ' PHE . 3.9 mt -95.42 135.06 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -134.02 148.9 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' B' ' 31' ' ' PRO . 11.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.541 0.21 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -119.83 133.8 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 31.2 t -100.27 115.05 29.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 98.6 m-70 -108.43 106.5 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.471 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 41.2 t -90.23 155.07 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.5 m-85 -147.03 151.7 37.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.093 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . 0.465 ' CE3' HG21 ' B' ' 96' ' ' THR . 53.8 t-105 -108.48 112.48 24.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.18 163.46 12.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.341 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' B' ' 117' ' ' PRO . 27.6 mt-10 -139.9 125.06 11.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.08 -66.18 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.024 0.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.405 ' CB ' HG22 ' B' ' 94' ' ' VAL . 8.5 p-10 -95.3 -178.3 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -108.84 46.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -77.68 -47.55 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.57 -35.77 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' B' ' 126' ' ' VAL . 2.5 t -64.91 -63.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 18.1 t -58.6 -23.29 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 4.1 tp10 -78.7 -54.01 6.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.459 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.85 -20.11 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 16.9 t -94.07 -47.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -60.04 -26.97 66.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.48 -21.37 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.2 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.426 ' N ' HG23 ' B' ' 82' ' ' VAL . 2.3 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 63.3 m -50.04 -23.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -65.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.9 mtt -50.39 -35.42 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.434 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 5.5 mt-30 -39.43 -59.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -112.49 -61.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -48.09 -24.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.06 -169.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.514 ' CE2' ' HE3' ' B' ' 88' ' ' MET . 79.7 t80 -140.39 143.49 35.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.498 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 39.6 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -34.42 22.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' B' ' 18' ' ' PHE . 0.1 OUTLIER 62.21 155.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.669 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 38.6 m-85 -162.17 94.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -70.78 113.13 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.74 -165.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -106.84 165.58 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -121.99 110.28 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -30.33 65.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.408 ' N ' HD13 ' B' ' 44' ' ' LEU . . . 121.92 -176.68 16.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -101.33 129.68 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.503 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.23 134.3 24.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . 0.503 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 146.93 33.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.81 -159.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.75 -66.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -78.72 150.41 75.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 m -149.06 139.29 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.63 136.09 1.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.83 -50.21 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -13.15 50.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.1 m -84.33 -36.48 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 40' ' ' ALA . 4.8 tp -75.97 -64.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.5 m-80 -40.62 -53.37 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -38.64 -38.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -72.81 -66.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.513 ' O ' ' CG ' ' B' ' 45' ' ' MET . 18.3 mt -41.32 -40.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -69.59 -44.43 70.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -60.95 -61.87 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' B' ' 47' ' ' SER . 16.6 mt -52.79 -50.37 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.32 -58.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.404 ' O ' ' C ' ' B' ' 47' ' ' SER . 4.4 t -79.19 -34.82 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.5 t -38.96 -68.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 m -116.31 -179.25 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.3 m -90.66 -177.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.56 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.68 -37.3 31.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -18.01 61.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -39.45 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -54.72 110.34 2.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.8 40.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -86.32 122.58 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.43 173.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -119.99 113.86 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.4 ttm -88.49 99.14 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . 0.403 ' ND2' HD13 ' B' ' 68' ' ' ILE . 7.8 m-20 -75.1 123.93 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' B' ' 18' ' ' PHE . 25.6 t -126.62 105.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.35 -156.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.68 -66.21 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.473 ' CB ' HG11 ' B' ' 82' ' ' VAL . . . -148.3 69.01 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -160.58 138.69 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.8 t -126.03 98.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.2 m -114.16 136.02 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 69.9 t -100.63 104.51 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' B' ' 75' ' ' GLU . 25.2 mt -98.92 147.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.434 ' N ' HG22 ' B' ' 68' ' ' ILE . 0.3 OUTLIER -64.57 127.34 31.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -58.47 7.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.16 79.03 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 0.7 OUTLIER 164.19 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 0.6 OUTLIER 88.96 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 40.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.438 ' O ' ' CG2' ' B' ' 68' ' ' ILE . 0.7 OUTLIER -145.69 116.64 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.4 t -86.51 143.39 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.2 mt -114.73 -53.63 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' B' ' 111' ' ' HIS . 1.7 t -137.73 144.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -126.99 94.64 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.594 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 29.0 t -97.81 89.7 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.7 mpt_? -66.12 114.88 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.473 HG11 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.4 -27.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' B' ' 81' ' ' ARG . 5.9 mmt85 -72.35 -44.18 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.265 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' B' ' 81' ' ' ARG . 14.6 m-30 -78.02 -34.98 50.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.507 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -39.77 143.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -115.23 -62.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' B' ' 88' ' ' MET . 9.5 t80 -132.85 150.64 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' MET . . . . . 0.514 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -157.39 130.99 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.26 -153.44 7.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 1.4 m -126.11 172.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.472 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -94.28 -100.99 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.97 -31.24 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.04 143.1 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.9 m -80.94 2.71 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 10.7 m80 -86.51 -21.66 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 13.5 p -97.1 158.51 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.637 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 35.8 t80 -157.88 112.88 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.435 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -116.35 162.28 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.594 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.2 p90 -153.15 143.57 22.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mt -95.88 130.26 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.7 ptm -128.29 148.17 50.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.503 0.192 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.41 150.33 48.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 45.4 t -118.99 126.37 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.4 m-70 -120.57 109.59 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.587 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 39.6 t -90.63 164.49 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.587 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 65.3 m-85 -156.31 156.72 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -111.99 114.73 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.7 m -111.83 149.77 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 36.3 mt-10 -132.67 135.37 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.02 -55.81 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.993 0.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.402 ' CB ' HG23 ' B' ' 94' ' ' VAL . 5.0 p30 -107.22 175.08 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.47 42.08 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -82.86 -25.42 32.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -43.27 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.637 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 1.7 t -64.65 -62.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.421 ' O ' ' N ' ' B' ' 127' ' ' GLN . 2.2 p -53.45 -37.26 62.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 12.1 tp10 -63.01 -56.59 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.669 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -54.15 -20.38 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' B' ' 97' ' ' PHE . 18.2 t -93.63 -32.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 123' ' ' SER . 3.4 tt0 -70.27 -43.78 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.3 -20.25 57.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.03 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 108.336 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.3 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.19 -25.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASN . 6.3 tttp -74.6 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.442 ' HE2' ' CB ' ' A' ' 19' ' ' TYR . 36.3 mtt -63.77 -9.74 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -69.2 -27.42 65.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' LYS . 1.1 m-20 -70.62 -25.96 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 56.81 -157.48 11.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 88.7 t80 -153.4 136.58 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.498 ' CG1' ' CB ' ' B' ' 61' ' ' ALA . 10.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -56.95 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LYS . . . . . 0.491 ' HE3' ' CG2' ' B' ' 15' ' ' VAL . 68.3 mttt 62.85 151.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 87.6 m-85 -157.14 112.67 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 120.7 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 m -149.57 -162.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -113.15 170.43 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.76 101.29 6.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -38.01 88.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.39 -170.59 20.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -105.52 131.69 52.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.467 ' CD2' ' HG ' ' B' ' 44' ' ' LEU . 0.1 OUTLIER -117.52 130.94 24.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.426 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 32.1 m -117.36 -168.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.05 -52.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -93.49 150.52 39.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -74.97 -31.81 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.32 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.42 111.04 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.8 tpt -64.9 -9.69 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.14 -33.8 15.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 1.2 m -78.24 -35.7 47.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.418 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.53 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -42.12 -51.44 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -39.9 -46.59 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -64.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' B' ' 45' ' ' MET . 14.4 mt -43.73 -42.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.57 -47.05 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.11 -68.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 32.9 mt -45.56 -51.57 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.2 mmt -38.11 -48.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . 0.4 ' O ' ' C ' ' B' ' 47' ' ' SER . 2.8 t -88.29 -35.3 17.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.4 t -39.26 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.5 m -112.1 -175.94 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' SER . . . . . 0.483 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.0 m -90.06 -175.96 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -84.57 -34.61 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -21.62 51.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.82 -36.37 78.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -57.1 111.29 3.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.99 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -80.4 130.45 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.13 173.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -126.94 107.5 10.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttm -82.49 108.41 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -92.84 122.52 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 22.9 t -122.17 109.14 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' B' ' 64' ' ' THR . . . -162.46 166.75 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.87 28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.473 ' CB ' HG13 ' B' ' 82' ' ' VAL . . . 62.6 49.31 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.503 ' N ' ' O ' ' B' ' 61' ' ' ALA . 96.9 m -145.08 129.77 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' B' ' 80' ' ' CYS . 54.4 t -106.83 105.21 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.6 m -116.92 132.29 56.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 89.3 t -100.95 101.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.404 HG22 ' N ' ' B' ' 69' ' ' SER . 16.8 mt -94.42 156.0 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.404 ' N ' HG22 ' B' ' 68' ' ' ILE . 0.4 OUTLIER -66.96 118.49 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 69' ' ' SER . 1.1 tt0 -38.72 -47.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -62.09 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -71.71 125.12 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -7.44 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.17 29.3 7.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -129.57 80.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.52 153.57 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.5 mt -125.14 -53.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.476 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.5 t -135.92 136.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -118.14 93.95 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.603 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 12.2 t -96.79 92.57 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' B' ' 83' ' ' ARG . 9.8 mmt85 -71.52 116.14 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' B' ' 63' ' ' ALA . 0.4 OUTLIER -47.15 -24.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 81' ' ' ARG . 15.4 mmt180 -72.71 -43.02 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 12.7 m-85 -80.44 -33.79 36.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' LEU . . . . . 0.507 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.94 153.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -126.98 -59.02 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 31.0 t80 -131.43 161.71 31.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.64 137.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.62 -150.31 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -132.64 167.59 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . 0.431 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -94.55 -105.01 1.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.17 -40.69 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.41 ' O ' ' OG1' ' B' ' 96' ' ' THR . 0.5 OUTLIER -96.72 144.09 27.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.2 m -78.84 -24.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 115' ' ' CYS . 1.4 m80 -62.98 -14.9 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.625 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 93' ' ' ASP . 70.9 p -99.46 152.7 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' PHE . . . . . 0.678 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 31.6 t80 -156.5 113.51 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -116.69 164.92 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.5 p90 -157.43 143.57 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 6.4 mt -94.65 126.76 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -121.92 142.43 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 24.1 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -124.82 137.92 54.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.9 t -113.91 125.0 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 108.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' HIS . . . . . 0.579 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.0 m-70 -113.4 111.28 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' VAL . . . . . 0.598 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 28.0 t -91.16 162.47 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 41.7 m-85 -152.66 166.65 31.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -125.2 94.9 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' B' ' 95' ' ' HIS . 12.8 m -89.06 162.29 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.5 mt-10 -139.57 134.08 16.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -57.03 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.997 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ASN . . . . . 0.419 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.1 p30 -104.86 178.03 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -103.69 40.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -77.04 -48.49 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -69.96 -46.97 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' VAL . . . . . 0.678 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.1 t -56.18 -69.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 34.9 p -49.13 -35.35 16.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 21.9 tt0 -66.02 -57.63 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' ALA . . . . . 0.564 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.83 -22.56 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 5.7 t -93.77 -28.1 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' B' ' 124' ' ' GLU . 11.8 tt0 -72.91 -35.62 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.78 -21.73 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.67 -46.4 38.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' CYS . . . . . 0.442 ' HA ' ' CG2' ' B' ' 82' ' ' VAL . 11.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.87 164.06 26.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.22 129.64 40.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.51 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 2.5 m -54.71 146.55 35.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.95 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' B' ' 120' ' ' ALA . 1.7 tp10 -58.49 -56.46 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -38.94 -43.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.45 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -50.49 -38.12 42.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -77.42 -67.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.85 -35.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.8 -56.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' GLN . 18.7 mtt -60.68 -46.12 91.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.468 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 6.1 mt-30 -42.17 -27.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' MET . 1.8 mp0 -123.43 -86.29 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 4.7 m-80 -40.92 -34.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 -141.46 38.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 61.8 t80 -164.57 131.87 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.44 113.87 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 2.8 t-20 -66.41 120.12 67.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -41.29 -39.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' B' ' 86' ' ' SER . 4.6 t80 -43.35 -54.73 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 65.32 75.71 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' PHE . 72.6 t80 -76.56 106.97 8.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 80.1 m-85 -37.58 135.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 63.16 158.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.52 100.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.99 102.64 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -42.12 140.7 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -179.09 156.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.045 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.81 161.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.26 159.65 31.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.79 170.89 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.21 167.51 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.28 156.47 28.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.46 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 68.5 p -118.97 160.25 41.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.11 29.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -173.49 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.6 p -94.56 126.65 39.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -156.93 156.88 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.55 117.06 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 45.0 t -103.52 146.32 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -51.73 60.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 59.7 mttt 66.9 145.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.571 ' CZ ' ' HB1' ' B' ' 125' ' ' ALA . 62.1 m-85 -153.39 103.09 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.09 119.43 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 m -148.41 -162.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -113.38 165.16 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -119.48 103.06 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.517 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -63.0 -35.19 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.92 -169.84 20.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.4 ttp -108.19 128.4 54.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.485 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -118.29 133.62 23.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 147.57 34.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.24 -179.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 -57.53 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 159.06 32.62 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.39 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.91 -177.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.51 133.11 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -45.74 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -19.51 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -80.78 -26.41 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 38' ' ' ASN . 12.7 tp -86.05 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' B' ' 37' ' ' LEU . 91.3 m-20 -40.47 -51.25 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -41.06 -47.56 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.59 -66.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.3 mt -41.66 -46.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.05 -49.64 73.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -64.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 32.7 mt -48.69 -52.35 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.9 mmt -38.94 -65.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.424 HG22 ' N ' ' B' ' 47' ' ' SER . 5.0 t -68.03 -51.51 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.424 ' N ' HG22 ' B' ' 46' ' ' THR . 0.4 OUTLIER -37.48 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -80.61 174.16 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.403 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 32.0 m -95.03 175.2 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.39 -40.69 57.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -24.09 57.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -63.8 -39.36 94.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.544 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.4 m0 -55.89 111.51 3.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -89.34 132.83 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.84 -178.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.42 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 71.3 m-20 -130.72 108.56 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttm -82.44 104.61 12.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.78 127.87 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 24.4 t -131.34 105.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.89 -157.92 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -41.34 -57.84 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.475 ' CB ' HG11 ' B' ' 82' ' ' VAL . . . -155.07 66.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 91.2 m -158.23 133.95 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 80' ' ' CYS . 79.2 t -120.97 101.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -115.75 144.88 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' B' ' 77' ' ' LEU . 75.9 t -111.45 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.4 mt -100.21 145.47 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.417 ' O ' ' O ' ' B' ' 72' ' ' ASN . 1.2 t -52.54 147.47 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.42 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.66 -53.66 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -75.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 69' ' ' SER . 18.5 m-20 -68.23 155.6 39.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -112.02 -26.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -99.68 32.31 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -126.75 85.52 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 6.3 p -63.57 153.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 67' ' ' VAL . 14.9 mt -122.79 -50.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.493 HG23 ' CE1' ' B' ' 111' ' ' HIS . 2.0 t -142.91 125.95 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -105.94 93.73 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.4 t -102.17 98.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 6.5 mmm180 -78.27 124.33 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.475 HG11 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.82 -27.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' B' ' 81' ' ' ARG . 17.6 mmt180 -74.19 -43.53 56.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.461 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 10.2 m-85 -74.29 -41.23 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.471 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -40.74 142.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 5.9 p -116.23 -58.84 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -128.83 156.84 43.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' B' ' 130' ' ' CYS . 0.0 OUTLIER -166.62 137.8 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.9 -152.01 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.468 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 2.0 m -131.7 168.72 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.17 -125.12 3.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -89.31 -15.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -122.73 131.67 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' OE1' ' A' ' 15' ' ' GLN . 10.4 m -67.57 -14.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 4.2 m80 -70.83 -12.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.0 p -105.01 158.76 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.602 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 61.8 t80 -158.11 114.65 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.427 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -119.11 160.89 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.607 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.0 p90 -155.53 143.35 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 mt -94.71 141.58 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -140.32 143.0 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.95 105.2 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 32.6 p -63.19 -54.54 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.85 -92.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.44 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 2.6 mt-30 -61.64 -13.16 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.63 138.63 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 14.5 m-85 -132.51 134.52 45.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.46 146.78 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 11.6 t -119.04 137.44 53.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.343 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.6 m-70 -122.76 114.48 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.601 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 46.0 t -93.98 164.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 55.6 m-85 -155.54 163.15 40.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -120.19 105.75 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 4.2 m -95.92 161.87 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 108.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.476 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.8 OUTLIER -141.13 129.96 12.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -62.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.025 0.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' B' ' 120' ' ' ALA . 37.4 p30 -96.45 176.57 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -105.02 44.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -80.13 -48.58 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.29 -49.38 67.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.499 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.6 t -54.13 -70.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.602 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 25.5 m -48.68 -33.84 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 22.9 tt0 -67.6 -51.36 51.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.571 ' HB1' ' CZ ' ' B' ' 18' ' ' PHE . . . -60.49 -18.01 48.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 11.3 t -93.45 -51.56 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.408 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.81 -43.53 77.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 130' ' ' CYS . . . -58.16 -56.96 15.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 98.9 m -41.09 -49.86 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.66 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.53 168.29 9.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 65.43 6.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.78 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.92 106.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -92.68 -55.61 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.86 98.61 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.59 98.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.63 166.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.217 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.6 p -41.88 150.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -98.19 -32.1 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -73.3 -51.93 15.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.57 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -67.5 -41.83 83.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' LYS . 11.1 mt -78.57 -57.78 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -39.56 -30.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 11.5 tttt -65.7 -60.76 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.46 ' HA ' ' CA ' ' A' ' 18' ' ' GLY . 10.7 mtt -67.25 -26.06 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -45.69 -42.31 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -129.6 -42.25 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 1.5 t-20 -72.17 -10.98 60.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 40.09 -161.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 59.9 t80 -147.38 130.98 16.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.35 132.92 54.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 5.4 t-20 -88.9 123.73 66.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.2 3.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.435 ' CG2' ' ND2' ' A' ' 21' ' ' ASN . 5.0 t -47.53 -45.83 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.486 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 7.0 t80 -45.86 138.64 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 75.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -83.09 46.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 45.25 92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -47.86 -67.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 53.36 74.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.0 ttp -112.22 134.92 53.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ASN . 2.6 pm0 -160.68 138.12 9.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' GLN . 5.5 t30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.5 p -175.6 154.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -61.97 97.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.36 -116.77 3.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -170.5 116.59 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 0.759 . . . . 0.0 109.958 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.96 105.59 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 178.25 17.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.424 1.75 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' B' ' 10' ' ' PRO . 18.7 m -88.77 143.93 32.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' B' ' 9' ' ' THR . 18.3 Cg_endo -75.01 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.68 131.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -77.37 148.35 35.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -130.29 153.65 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -121.58 130.82 53.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 t -113.98 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -96.38 -39.21 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 152.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 125' ' ' ALA . 54.8 m-85 -158.69 94.52 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -69.5 102.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.07 -168.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -103.01 167.29 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.37 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.425 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -69.97 -38.76 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.73 -173.24 20.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.525 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.2 ttp -104.94 126.16 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.487 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.25 134.75 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.487 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.0 Cg_endo -75.09 139.82 24.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.1 m -127.64 -178.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.69 -49.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -95.29 147.7 33.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.12 6.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.55 160.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.21 133.62 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' B' ' 90' ' ' VAL . 96.7 mmm -76.8 -38.31 54.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.37 -34.31 4.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 37.7 m -87.44 -47.14 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -63.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.04 -46.91 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -41.79 -46.67 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -54.94 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' B' ' 45' ' ' MET . 46.2 mt -50.28 -49.5 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.49 -36.0 82.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -68.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.463 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 35.8 mt -49.82 -46.42 51.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.1 mmt -37.03 -48.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -95.66 -37.05 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -46.11 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 p -123.61 176.71 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -96.01 172.39 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.562 ' HE3' ' CZ2' ' B' ' 114' ' ' TRP . 0.0 OUTLIER -75.19 -39.51 60.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.47 -20.96 59.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.83 -44.98 68.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.553 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -49.22 109.68 1.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.94 40.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -84.83 131.56 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 m -135.97 167.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.419 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 86.3 m-20 -115.08 111.46 21.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ttm -86.35 104.99 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -79.8 127.84 32.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 23.6 t -131.45 106.33 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.95 -153.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -39.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.417 ' CB ' HG11 ' B' ' 82' ' ' VAL . . . -147.53 67.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 81.6 m -158.58 138.42 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.6 100.12 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -111.94 142.83 43.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -111.25 102.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 18.6 mt -101.48 148.16 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.4 ' O ' ' O ' ' B' ' 72' ' ' ASN . 3.6 t -57.74 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.419 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.3 OUTLIER -49.83 -55.53 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -77.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 83.5 m-20 -69.87 115.97 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -7.81 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -109.35 14.36 23.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -110.28 104.1 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.5 144.22 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.4 mt -118.56 -57.03 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' B' ' 111' ' ' HIS . 1.5 t -136.54 137.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -119.1 94.66 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 7.3 t -100.14 92.29 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 -73.42 116.87 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.448 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -42.12 -36.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -50.14 72.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 5.8 m-85 -70.54 -36.16 73.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.423 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -39.63 152.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 p -125.57 -46.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 26.5 t80 -146.46 156.3 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.429 ' HE2' ' CG1' ' B' ' 126' ' ' VAL . 0.0 OUTLIER -167.29 130.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.78 -152.42 6.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.501 ' O ' ' CE ' ' B' ' 34' ' ' MET . 0.9 OUTLIER -133.75 160.34 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.07 -117.6 0.59 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -90.99 -30.87 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.82 139.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' B' ' 96' ' ' THR . 9.1 m -70.42 -36.55 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -42.75 -28.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.426 ' N ' ' C ' ' B' ' 94' ' ' VAL . 61.0 p -96.51 155.3 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.674 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 34.7 t80 -157.95 116.68 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.408 ' HB1' ' CG2' ' B' ' 112' ' ' VAL . . . -117.8 164.56 14.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.607 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.4 p90 -155.95 143.01 19.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -95.06 134.35 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptm -128.95 145.2 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -97.82 107.52 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 12.3 p -97.37 19.15 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.93 152.0 8.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.117 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.46 -171.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 37.1 mt-30 -71.21 -4.39 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -65.95 139.07 58.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 10.3 m-85 -140.6 132.4 27.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.77 140.35 46.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 41.0 t -111.92 135.13 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.279 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.2 m-70 -123.23 113.58 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.565 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 36.4 t -91.98 161.96 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.9 m-85 -152.09 159.8 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 12.1 t-105 -116.46 105.35 12.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -104.05 151.4 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.512 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -132.4 136.99 28.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.96 -54.27 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.997 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -110.3 168.84 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.82 31.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -68.1 -41.56 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.19 -42.4 46.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.674 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.3 t -63.68 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.0 p -52.62 -37.48 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.0 -55.59 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.517 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . . . -52.77 -22.2 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 16.3 t -93.48 -36.38 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.57 -48.06 70.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.98 66.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.64 -53.78 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.41 ' N ' HG23 ' B' ' 82' ' ' VAL . 19.9 m -50.97 -55.37 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.25 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.4 168.86 37.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.79 41.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.68 142.14 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 97.5 p -74.92 140.81 44.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.37 -57.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.54 76.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.16 178.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 9.8 m -74.03 135.95 76.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.97 -32.08 5.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.57 -26.97 64.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -57.13 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -46.62 -40.52 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -54.52 -46.47 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.546 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.19 -44.98 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 m -45.8 -55.16 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -41.79 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.0 mtt -81.74 -44.94 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -40.31 -53.59 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 1.5 pp0? -111.57 163.07 14.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.82 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . 94.42 164.54 35.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.485 ' CE2' ' HE3' ' B' ' 88' ' ' MET . 77.2 t80 -105.54 134.39 48.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.63 133.83 55.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 1.3 t-20 -89.86 118.86 69.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -35.3 3.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 t -47.59 -42.22 23.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -49.23 135.21 17.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -156.2 86.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 44.29 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.6 44.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 61.99 96.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.7 tpp -101.68 111.66 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 60.06 156.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 140.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.954 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -168.35 166.84 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.31 -144.64 3.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.51 177.1 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.64 -157.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.62 94.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -67.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.2 p -136.08 158.84 72.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.07 32.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -173.48 158.25 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.0 m -117.52 146.46 43.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -157.81 169.1 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.79 158.87 16.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 40.7 t -142.19 153.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -56.96 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 63.71 149.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -157.23 92.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.475 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 1.1 tmm_? -60.93 97.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.0 m -123.26 -162.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -112.74 171.15 7.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.3 113.42 18.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.546 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -74.13 -34.77 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.52 -177.75 17.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.566 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -102.04 127.13 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.48 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.16 134.01 22.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.48 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 151.4 39.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.9 m -139.76 -175.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -123.8 -50.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -95.35 150.36 37.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.91 9.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.67 139.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' B' ' 36' ' ' THR . . . 155.93 102.32 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 3.6 tpt -45.95 -34.52 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.17 -39.29 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.446 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 9.0 m -74.27 -28.32 61.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -71.49 -66.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.73 -45.61 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 t -40.25 -48.18 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.59 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -42.02 -53.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -58.84 -38.13 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.7 OUTLIER -66.4 -71.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 29.1 mt -43.85 -39.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 3.7 mmt -50.87 -43.32 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.8 t -99.95 -8.09 24.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.437 ' N ' ' O ' ' B' ' 43' ' ' ASN . 0.0 OUTLIER -93.26 11.33 28.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m 179.59 152.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -83.66 173.6 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.573 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.83 -33.23 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.47 -1.74 57.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -5.59 48.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -91.42 112.92 56.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 154.2 41.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -81.15 141.78 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -143.07 177.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -124.24 108.94 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.3 ttm -84.02 99.04 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' B' ' 66' ' ' THR . 12.4 m-20 -77.8 126.6 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.7 t -131.37 103.15 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -108.31 -148.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -36.49 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' B' ' 82' ' ' VAL . . . -135.22 66.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 54.9 m -157.17 146.38 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' B' ' 80' ' ' CYS . 42.0 t -132.88 98.43 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 59' ' ' ASN . 98.4 m -109.06 142.3 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.01 92.66 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.6 mt -90.15 148.61 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.4 ' O ' ' O ' ' B' ' 72' ' ' ASN . 0.2 OUTLIER -57.05 148.45 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.475 ' OE2' ' CD ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -67.75 -56.26 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.16 56.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 6.5 m-20 163.94 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.5 -4.09 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 2.08 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -98.05 92.23 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -76.28 141.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 22.2 mt -111.97 -52.6 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.37 144.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -124.21 94.38 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 8.6 t -96.2 97.45 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' B' ' 84' ' ' PHE . 13.1 mmt180 -78.46 118.8 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -48.09 -26.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -73.8 -36.88 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.9 m-85 -84.87 -34.1 22.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.502 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -43.45 150.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -130.58 -52.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -130.08 144.75 51.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.485 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -161.26 127.68 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.99 -150.23 6.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.7 m -130.15 161.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.41 -120.51 1.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.58 -19.68 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.4 138.73 53.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' B' ' 119' ' ' ALA . 20.3 m -75.98 -2.34 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 1.0 OUTLIER -85.54 -11.15 54.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.6 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 72.8 p -114.2 124.55 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.485 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 18.7 t80 -121.02 114.79 22.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -114.45 150.74 34.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.61 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 8.0 p90 -146.48 142.11 27.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mt -95.92 123.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptm -118.21 138.74 52.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.28 114.32 17.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -109.33 42.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.54 -157.41 27.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -69.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.566 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 5.3 mt-30 -124.77 1.55 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.5 OUTLIER -56.24 145.31 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.8 m-85 -137.28 148.05 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.87 130.21 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 48.2 t -96.67 121.33 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 108.327 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.566 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.4 m-70 -115.33 106.94 14.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.594 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 25.1 t -90.45 165.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.4 m-85 -156.58 161.44 39.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.463 ' NE1' ' NZ ' ' B' ' 50' ' ' LYS . 48.0 t-105 -113.01 109.64 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -102.05 147.88 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.477 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 37.4 mt-10 -131.33 129.99 22.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.621 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -75.06 -58.02 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.031 0.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -104.82 -177.23 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -106.22 55.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.41 -47.3 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -70.84 -50.7 32.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.485 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.9 t -54.05 -71.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 122' ' ' VAL . 60.7 p -38.75 -50.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 127' ' ' GLN . 17.8 tt0 -60.73 -58.17 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -43.06 -28.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' B' ' 124' ' ' GLU . 4.4 t -93.25 -40.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' B' ' 124' ' ' GLU . 39.5 tt0 -61.75 -31.69 71.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.34 -20.11 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.5 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.419 ' N ' HG21 ' B' ' 82' ' ' VAL . 6.1 m -58.21 -44.97 88.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.9 -55.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.056 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.05 168.19 42.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.3 m -64.92 85.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 22.6 m -112.06 109.12 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.37 101.41 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.23 69.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -44.43 123.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.4 p -56.7 160.04 6.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.12 -64.45 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -42.3 -40.48 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -56.65 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -47.34 -29.18 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 12' ' ' SER . 17.2 mt -85.6 -52.17 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 11.1 t -38.44 -44.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -63.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.72 -38.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.414 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 22.9 mt-30 -61.29 -56.49 19.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 12' ' ' SER . 2.1 mp0 -77.72 -95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -40.51 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.14 -179.4 23.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 53.5 t80 -123.07 129.49 51.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.63 118.43 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' B' ' 85' ' ' LEU . 3.5 m120 -58.82 110.98 3.05 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.8 9.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -62.72 -41.9 99.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 9.4 t80 -49.13 160.55 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -169.24 134.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 24' ' ' TYR . 2.1 m-85 -166.96 160.57 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.37 -174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.51 149.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -105.18 -59.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtp 52.23 90.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 41.25 89.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.9 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.82 169.63 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.12 158.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.64 120.65 2.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -172.5 148.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 110.006 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 163.43 23.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 105.08 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.48 8.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.411 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 60.5 p -131.43 146.22 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.1 Cg_endo -75.01 170.45 20.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -178.57 149.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.0 p -109.83 97.72 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -121.06 149.39 42.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.13 119.33 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t -126.98 151.64 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -53.05 34.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -156.98 93.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.62 99.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.9 m -126.63 -162.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' B' ' 50' ' ' LYS . 1.5 tt0 -107.51 167.1 10.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.48 101.57 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.524 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -61.48 -40.78 95.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.81 -177.76 17.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.462 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -100.18 131.3 46.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.483 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.05 134.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.483 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 127.98 11.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 m -114.1 179.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.65 -56.64 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 157.19 34.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.41 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.03 -12.24 21.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.81 177.08 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 120.63 3.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -64.48 -32.43 74.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 111.036 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -21.37 60.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.2 m -82.31 -31.16 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 tp -73.02 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.7 m-80 -42.88 -53.54 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -38.95 -44.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -58.96 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' B' ' 45' ' ' MET . 12.0 mt -50.33 -46.5 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.49 -39.21 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -62.54 -70.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.6 mt -45.99 -48.98 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.409 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.2 OUTLIER -37.7 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.433 HG23 ' N ' ' B' ' 47' ' ' SER . 3.9 t -82.57 -44.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.433 ' N ' HG23 ' B' ' 46' ' ' THR . 0.6 OUTLIER -47.97 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.66 160.33 14.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.454 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 61.3 m -90.06 178.92 6.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.579 ' NZ ' ' CZ2' ' B' ' 114' ' ' TRP . 0.6 OUTLIER -74.75 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -33.47 70.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -44.64 79.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.8 m0 -53.8 109.44 1.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.018 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.03 37.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -84.07 130.2 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.18 164.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 95.3 m-20 -110.79 109.83 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.8 ttm -83.56 108.27 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.85 132.5 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 53.1 t -135.16 102.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.3 -168.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 61' ' ' ALA . 19.2 t0 -36.77 -56.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.419 ' O ' ' OG1' ' B' ' 64' ' ' THR . . . -152.33 69.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 44.9 m -159.83 141.98 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' B' ' 80' ' ' CYS . 53.5 t -131.09 96.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 57.7 m -111.98 147.9 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' B' ' 77' ' ' LEU . 89.1 t -114.34 100.81 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.4 mt -98.76 147.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.1 t -57.9 132.77 54.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER -46.33 -51.25 15.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -48.64 134.56 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -96.55 -5.7 38.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.91 18.93 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -112.8 88.98 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.64 152.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 67' ' ' VAL . 19.6 mt -122.15 -53.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.41 HG22 ' CE1' ' B' ' 111' ' ' HIS . 2.2 t -141.81 142.03 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.58 94.34 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.501 ' SG ' ' CD1' ' B' ' 85' ' ' LEU . 13.3 t -95.33 94.33 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.3 mpt_? -68.25 113.83 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.418 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.6 -27.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.8 OUTLIER -71.79 -44.3 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 9.2 m-30 -78.82 -35.23 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.501 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -40.02 135.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -105.3 -61.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 54.2 t80 -130.92 160.95 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.435 ' HE3' ' CG1' ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.6 137.08 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.33 -146.09 5.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.414 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 1.6 m -131.3 168.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.37 -95.83 1.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -111.12 -32.07 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.404 HG23 ' N ' ' B' ' 95' ' ' HIS . 10.7 m -55.68 -29.62 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.404 ' N ' HG23 ' B' ' 94' ' ' VAL . 4.6 m80 -52.71 -22.18 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.572 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 22.0 p -98.1 157.94 15.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.528 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.8 t80 -158.41 113.34 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.417 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -115.82 165.16 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.2 p90 -159.26 144.31 15.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.3 mt -97.46 139.53 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -139.07 145.12 39.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.22 117.8 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' B' ' 104' ' ' GLY . 27.9 p -113.76 -61.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . -89.63 -169.45 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.43 92.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.593 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 16.1 mt-30 69.4 7.13 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -63.58 159.03 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 11.8 m-85 -141.68 126.26 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.37 131.15 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 49.4 t -104.11 114.71 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.2 m-70 -110.52 108.12 17.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.608 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.579 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 41.8 t -90.38 162.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 43.5 m-85 -152.0 169.28 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.579 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 53.6 t-105 -127.55 108.3 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 21.9 m -103.06 157.19 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -136.1 132.82 19.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -58.69 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.013 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -103.77 176.93 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -98.27 30.18 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.54 82.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -73.76 -46.9 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.528 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.4 t -60.54 -59.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 119' ' ' ALA . 54.6 p -52.54 -39.51 61.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' B' ' 126' ' ' VAL . 7.2 tp10 -68.15 -59.4 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -44.18 -27.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.435 ' CG1' ' HE3' ' B' ' 88' ' ' MET . 11.9 t -93.2 -41.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -56.76 -31.71 64.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' B' ' 132' ' ' GLY . . . -86.61 -42.22 13.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -49.61 -40.47 39.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.92 -50.02 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' B' ' 131' ' ' SER . 14.7 p -163.39 86.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' B' ' 128' ' ' ALA . . . -67.74 -135.27 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.68 8.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 50.1 p -80.97 90.23 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 97.6 p -136.05 155.48 50.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 8.2 t0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 1' ' ' ASP . . . 80.9 -70.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.53 160.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 p -58.6 178.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 7.6 t -92.07 145.74 31.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 57.02 4.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.779 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 4.0 tp10 -160.5 -52.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -48.47 -38.51 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -56.2 -41.27 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -63.11 -42.2 99.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' B' ' 120' ' ' ALA . 59.7 mt -71.34 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -38.87 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.44 -60.49 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.3 mtt -53.48 -23.38 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -66.31 -25.98 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -120.84 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.77 -179.34 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 57.1 t80 -123.51 133.03 54.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.2 99.4 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 6.9 t-20 -57.79 110.51 2.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.75 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.0 t -41.87 -35.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 11.1 t80 -53.75 -48.53 69.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.41 -75.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 12.0 t80 51.47 81.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.42 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -75.41 71.11 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER 36.09 43.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mmt -64.28 96.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -120.31 -52.25 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -178.05 117.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.37 164.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.57 178.75 40.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.54 168.03 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.2 171.46 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.62 74.61 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.97 43.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 40.1 p -139.15 136.79 18.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.3 Cg_endo -74.94 115.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -161.73 97.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -59.28 131.28 50.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.74 168.26 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.15 168.57 9.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.517 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 21.1 t -120.6 161.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.409 ' N ' HG13 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -81.1 -44.47 17.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.517 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 67.68 148.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 52.1 m-85 -155.07 104.65 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 116.16 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.2 m -144.95 -162.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -113.84 167.42 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -122.28 113.72 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -35.07 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.21 177.95 15.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' B' ' 111' ' ' HIS . 4.0 tmm? -91.48 138.58 31.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.752 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.486 ' N ' ' SD ' ' B' ' 25' ' ' MET . 0.2 OUTLIER -126.06 133.55 25.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.98 128.3 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.13 -172.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 -52.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -91.26 147.17 34.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.21 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.56 168.16 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.26 141.78 7.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 82.6 mmm -81.35 -42.23 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.92 -22.03 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -89.71 -45.03 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.51 -63.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -50.64 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -40.63 -54.45 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.71 -59.89 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' B' ' 45' ' ' MET . 4.9 mt -47.04 -52.85 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -60.25 -33.45 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -70.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.465 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 14.6 mt -47.51 -43.1 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.8 mmt -41.65 -60.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 t -79.47 -32.43 42.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -44.23 -65.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -114.41 -177.4 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.5 m -94.06 -178.99 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.567 ' HE3' ' CZ2' ' B' ' 114' ' ' TRP . 0.0 OUTLIER -78.73 -35.93 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.3 -30.68 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -59.34 -41.04 88.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.551 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -55.88 109.63 1.77 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.17 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -86.73 134.24 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.14 -178.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -133.52 108.92 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.415 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 25.6 ttm -82.67 99.04 9.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.408 ' ND2' ' CD1' ' B' ' 68' ' ' ILE . 8.3 m-80 -76.29 120.36 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.415 ' CG2' ' HG2' ' B' ' 58' ' ' MET . 24.4 t -125.03 109.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.45 -150.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.59 -67.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.449 ' HB1' ' CG1' ' B' ' 82' ' ' VAL . . . -150.15 67.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 74.1 m -158.74 142.83 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 80' ' ' CYS . 39.9 t -128.71 101.19 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.2 m -114.15 133.55 55.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' B' ' 77' ' ' LEU . 77.9 t -100.23 101.42 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.409 HG23 ' N ' ' B' ' 69' ' ' SER . 32.5 mt -99.33 148.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.409 ' N ' HG23 ' B' ' 68' ' ' ILE . 1.4 t -59.15 134.15 56.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.61 -55.0 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -71.6 122.59 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.41 -13.87 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -104.07 32.06 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.51 87.88 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 2.8 p -61.91 151.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' B' ' 67' ' ' VAL . 12.5 mt -121.04 -50.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.486 HG22 ' CE1' ' B' ' 111' ' ' HIS . 2.2 t -143.33 138.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.424 ' O ' ' CE ' ' B' ' 101' ' ' MET . 8.4 tt0 -118.66 94.4 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.6 ' SG ' ' CD1' ' B' ' 99' ' ' PHE . 10.5 t -95.96 87.67 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 21.8 mmt180 -66.27 116.22 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.449 ' CG1' ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.92 -34.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -66.19 -45.17 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 14.8 m-85 -75.34 -36.83 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.508 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.61 140.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.461 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 13.0 p -112.93 -56.42 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 48.7 t80 -136.03 153.94 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.41 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -160.76 127.08 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.12 -156.91 9.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.406 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.8 m -123.74 167.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.449 ' CA ' HD12 ' B' ' 41' ' ' ILE . . . -93.61 -97.88 1.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -108.22 -30.52 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.461 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -106.51 152.61 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.6 -25.72 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.461 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 1.7 m80 -64.1 -12.42 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 33.1 p -104.93 144.09 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.666 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.7 t80 -148.54 113.7 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.45 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -112.8 170.54 8.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.6 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 4.8 p90 -163.8 143.03 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mt -95.4 134.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 25.8 ptm -132.78 139.35 47.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.58 119.66 29.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 6.9 p -110.23 40.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.57 137.04 9.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.92 -170.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' B' ' 108' ' ' PHE . 76.1 mt-30 -68.96 -6.58 28.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.451 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.7 OUTLIER -56.05 140.31 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' B' ' 106' ' ' GLN . 18.6 m-85 -140.38 133.49 29.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -118.02 146.75 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 11.9 t -118.37 129.72 55.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.579 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.0 m-70 -119.36 110.78 17.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.556 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 21.5 t -90.06 164.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.0 m-85 -154.26 166.55 32.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.567 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 16.3 t-105 -125.0 93.45 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' B' ' 95' ' ' HIS . 26.4 m -83.95 160.65 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.8 mt-10 -141.67 131.32 12.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -74.97 -60.84 0.06 OUTLIER 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.991 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.403 ' ND2' ' HB2' ' B' ' 120' ' ' ALA . 14.1 p-10 -103.35 170.32 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.47 28.47 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.465 ' HB1' ' CG ' ' A' ' 7' ' ' GLU . . . -60.94 -42.15 97.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' B' ' 124' ' ' GLU . 2.0 m120 -77.55 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.666 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 1.7 t -41.47 -54.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.8 p -58.17 -38.32 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 121' ' ' ASN . 21.5 tt0 -69.62 -62.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.431 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -41.96 -28.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.437 ' N ' ' C ' ' B' ' 124' ' ' GLU . 21.3 t -92.11 -42.83 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 124' ' ' GLU . 51.4 tt0 -57.22 -37.15 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.24 -26.96 32.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -53.35 -58.83 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.539 ' O ' ' CB ' ' B' ' 131' ' ' SER . 87.0 m -46.75 -60.48 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' B' ' 130' ' ' CYS . 0.4 OUTLIER 87.9 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.23 166.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -63.3 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 59.5 p -101.29 117.19 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.21 140.11 27.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.02 86.8 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -94.47 166.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 2.8 m -57.35 146.37 63.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -53.38 -41.03 65.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.77 -53.58 54.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -51.37 -49.5 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.4 ' NE2' ' HB2' ' B' ' 124' ' ' GLU . 20.4 t60 -52.77 -23.94 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.557 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' B' ' 120' ' ' ALA . 89.2 mt -94.8 -50.19 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -46.76 -42.32 16.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -62.61 -38.99 92.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.423 ' CE ' ' HB2' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -80.36 -9.64 59.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -80.11 -20.62 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 -51.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.58 -21.56 65.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 43.88 -169.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.423 ' HB2' ' CE ' ' A' ' 14' ' ' MET . 85.0 t80 -138.26 137.61 37.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -122.27 106.93 11.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.75 119.5 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -41.22 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -40.6 -47.08 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE2' ' CD2' ' A' ' 26' ' ' PHE . 8.4 t80 -46.18 -51.87 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 61.67 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.443 ' CD2' ' CE2' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -147.55 129.98 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -99.77 178.92 4.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 54.24 85.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.23 131.9 12.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 mmt 55.61 94.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -41.0 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -164.09 171.21 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -167.67 161.07 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.29 -164.72 10.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.48 165.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.18 171.38 18.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.54 98.04 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 36.5 p -141.07 142.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.2 Cg_endo -75.04 117.08 4.78 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -165.2 117.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -108.35 150.63 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.5 -161.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.02 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.516 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 24.6 t -114.2 156.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -39.13 22.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.516 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 64.5 149.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' B' ' 17' ' ' LYS . 52.3 m-85 -162.14 93.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' B' ' 70' ' ' GLU . 1.7 tmm_? -70.55 102.43 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.3 -164.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -106.52 170.72 7.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.11 112.12 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.459 ' HG ' ' CE2' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -75.51 -33.62 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.408 ' N ' HD11 ' B' ' 44' ' ' LEU . . . 125.91 -175.09 17.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -103.79 127.45 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.98 133.93 22.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.94 137.06 21.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 17.3 m -126.2 -174.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -54.6 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -89.66 151.6 45.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.8 8.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 25.9 m -129.91 159.9 41.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.74 134.01 3.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mmm -77.44 -41.6 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -26.22 9.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 18.8 m -90.05 -33.93 16.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.75 -60.3 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.1 m-80 -49.7 -53.61 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.53 -49.86 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.64 19.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.2 mt -49.08 -46.59 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.85 -46.85 85.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -55.93 -65.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.408 HD11 ' N ' ' B' ' 24' ' ' GLY . 25.5 mt -49.63 -53.5 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.43 ' CE ' HG23 ' B' ' 96' ' ' THR . 3.6 mmt -37.28 -66.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.431 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.5 t -69.25 -53.24 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.431 ' C ' ' O ' ' B' ' 46' ' ' THR . 2.4 m -36.91 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 45' ' ' MET . 69.1 m -91.46 164.66 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 51.4 m -88.16 176.85 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.82 -36.74 42.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.66 -25.36 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -36.41 84.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.565 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -55.67 110.69 2.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.01 41.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -79.94 128.77 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.17 168.72 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 99.6 m-20 -115.15 112.12 22.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.2 tpp -88.85 101.64 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.416 ' ND2' HD13 ' B' ' 68' ' ' ILE . 33.9 m-20 -78.83 132.31 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 37.7 t -134.7 102.4 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -102.69 -154.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 36.2 t0 -39.23 -71.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.459 ' HB2' ' CG1' ' B' ' 82' ' ' VAL . . . -143.37 67.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 87.3 m -157.8 146.07 19.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 37.9 t -133.11 102.86 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.6 m -114.17 146.19 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' B' ' 77' ' ' LEU . 71.4 t -115.36 97.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.416 HD13 ' ND2' ' B' ' 59' ' ' ASN . 11.8 mt -98.26 147.4 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t -56.46 128.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' B' ' 19' ' ' ARG . 0.4 OUTLIER -42.92 -52.31 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.82 120.29 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.7 -13.18 49.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -106.9 18.86 21.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.01 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.0 p -64.65 155.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 67' ' ' VAL . 11.2 mt -126.29 -52.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.472 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.7 t -141.13 131.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.227 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -114.13 94.02 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.598 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 6.7 t -96.45 98.46 10.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' B' ' 84' ' ' PHE . 18.1 mmt85 -77.48 118.72 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -46.75 -27.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -74.04 -39.18 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.0 m-85 -81.33 -37.93 27.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.489 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.41 152.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 33.9 p -129.08 -55.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.453 ' HB3' ' CD1' ' B' ' 100' ' ' ILE . 12.5 t80 -127.03 151.91 47.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.412 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -163.62 119.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.86 -158.77 9.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 1.7 m -124.55 170.66 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.423 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -96.65 -121.56 4.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -81.87 -30.62 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.02 139.42 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.49 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -44.98 -29.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.537 HG21 ' CE3' ' B' ' 114' ' ' TRP . 71.9 p -100.94 139.66 36.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.583 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 15.7 t80 -139.12 119.12 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.44 ' HB1' ' CG2' ' B' ' 112' ' ' VAL . . . -119.66 168.22 11.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.5 p90 -160.61 145.55 14.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' B' ' 87' ' ' PHE . 3.7 mt -95.9 124.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -121.73 143.62 49.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.59 117.43 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 82.7 p -118.14 57.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 140.98 -149.87 21.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -57.34 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.584 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 4.7 mt-30 -118.99 1.53 11.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -55.81 140.27 42.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.1 m-85 -133.53 137.77 45.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -128.33 128.64 44.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.06 118.81 36.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 90.4 m-70 -113.56 110.39 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.543 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 33.6 t -90.78 160.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 64.8 m-85 -153.85 148.63 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.537 ' CE3' HG21 ' B' ' 96' ' ' THR . 65.3 t-105 -101.93 117.73 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 56.6 m -107.1 151.65 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.0 mt-10 -134.25 128.62 19.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -57.88 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.974 0.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -103.77 172.11 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -96.91 40.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.427 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . . . -73.78 -63.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.57 -36.53 74.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.583 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.5 t -67.13 -66.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' B' ' 119' ' ' ALA . 77.8 p -48.82 -40.05 27.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.934 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.4 ' HB2' ' NE2' ' A' ' 10' ' ' HIS . 25.5 tt0 -70.25 -54.2 13.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.418 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.6 -26.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.412 HG12 ' CE ' ' B' ' 88' ' ' MET . 13.3 t -93.57 -50.79 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.418 ' NE2' ' HE3' ' A' ' 13' ' ' LYS . 2.4 tt0 -54.84 -30.07 56.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.43 -27.17 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.21 86.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.408 ' N ' HG22 ' B' ' 82' ' ' VAL . 7.7 m -51.66 -38.59 55.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.316 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 16.6 t -173.21 -60.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.9 168.53 44.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.62 24.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.25 102.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.38 97.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.19 168.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.75 83.06 2.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.7 m -62.1 174.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.7 p -56.89 159.56 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -27.71 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.33 -60.37 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -39.25 -44.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -54.39 -54.28 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -45.94 -45.81 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' ' CG1' ' B' ' 94' ' ' VAL . 83.5 mt -65.92 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -39.56 -52.19 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.049 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -48.34 -51.67 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.2 mtt -60.02 -49.01 79.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -44.04 -33.35 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -111.64 -92.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 16' ' ' GLN . 3.7 m-80 -33.65 -63.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.67 -175.01 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 43.3 t80 -127.32 132.48 50.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.62 103.0 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 2.0 t-20 -55.1 114.89 7.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -38.66 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -45.4 -47.46 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 9.2 t80 -43.4 115.69 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -140.9 89.63 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.07 124.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -62.5 124.68 21.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -97.24 146.59 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.39 99.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -170.67 170.92 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -55.17 150.25 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.2 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.81 165.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.27 91.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.68 178.94 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.99 150.03 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.28 136.58 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.24 163.12 10.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.25 23.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -91.26 145.41 31.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 123.32 7.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.038 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.89 132.57 47.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.2 p -59.45 87.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.75 171.68 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 127.04 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.14 155.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -56.78 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 69.38 148.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -157.3 92.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.07 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 m -127.52 -162.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -107.75 171.5 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.449 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.5 t80 -127.42 99.29 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.418 ' CB ' ' HB ' ' B' ' 112' ' ' VAL . 0.2 OUTLIER -62.5 -44.88 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.38 -172.91 21.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.545 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 5.7 ttp -107.78 136.23 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.458 ' CD2' ' HG ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -122.38 133.45 24.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.408 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 143.25 28.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.68 -168.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -48.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.82 150.03 36.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.77 11.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.53 142.49 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.31 115.55 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.91 -29.58 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -28.04 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -72.23 -57.19 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -60.33 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -49.36 -50.02 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -49.7 4.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.42 -65.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.442 HG12 ' CG1' ' B' ' 112' ' ' VAL . 19.8 mt -44.43 -47.42 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.26 -36.86 73.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 40' ' ' ALA . 1.0 OUTLIER -67.51 -67.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 10.5 mt -49.84 -47.08 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -36.81 -44.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -98.94 -38.24 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.92 -45.7 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -128.75 161.52 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -79.71 176.83 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.599 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -73.28 -43.03 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.27 -38.5 71.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -36.21 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.599 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 20.8 m0 -60.27 111.15 3.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 107.973 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.449 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.97 169.97 21.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -95.63 149.77 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.4 m -152.3 169.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 82.6 m-20 -113.61 107.29 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.4 tpp -82.52 103.56 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' B' ' 68' ' ' ILE . 10.0 m-20 -77.58 129.79 36.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 69.5 t -132.12 99.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -101.27 -161.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' B' ' 61' ' ' ALA . 60.6 t0 -36.96 -66.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.446 ' HB2' ' CG1' ' B' ' 82' ' ' VAL . . . -145.75 68.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 89.0 m -158.78 146.01 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' B' ' 80' ' ' CYS . 42.6 t -133.55 97.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -112.46 138.76 48.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 73.0 t -107.49 97.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.415 HD11 ' ND2' ' B' ' 59' ' ' ASN . 10.6 mt -92.96 148.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -56.85 138.26 53.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -50.07 -61.22 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.38 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -53.27 132.58 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -97.24 -18.62 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -105.79 40.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -139.53 85.04 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 p -61.56 154.45 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.4 mt -122.98 -52.44 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -140.01 131.1 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -113.45 93.81 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 9.8 t -96.8 91.05 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' B' ' 84' ' ' PHE . 14.8 mmt180 -70.32 114.46 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -41.02 -37.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -47.91 80.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.48 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 22.4 m-85 -71.02 -39.36 72.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.511 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.74 144.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 14.6 p -115.3 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' B' ' 88' ' ' MET . 4.9 t80 -142.28 156.69 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.624 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -160.9 135.85 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.8 -156.18 9.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 2.0 m -122.5 164.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -90.49 -112.44 1.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' B' ' 93' ' ' ASP . 0.0 OUTLIER -92.16 -33.26 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -118.86 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' B' ' 96' ' ' THR . 33.4 m -53.33 -39.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.465 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 6.8 m80 -38.83 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.554 HG22 ' CE3' ' B' ' 114' ' ' TRP . 16.2 p -95.68 146.05 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.61 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 42.1 t80 -143.09 113.56 7.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -112.24 172.71 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.575 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.3 p90 -168.15 143.25 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mt -94.8 134.89 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptm -135.2 147.31 49.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -89.07 121.94 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 80.6 p -119.72 51.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.74 -151.49 23.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.28 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.578 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 23.2 mt-30 -119.46 9.5 11.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 8.4 mpt_? -56.09 146.77 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 16.0 m-85 -139.19 121.25 15.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . 0.413 ' N ' ' OE1' ' B' ' 109' ' ' GLU . 5.5 mp0 -118.33 129.49 55.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.97 119.09 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.0 m-70 -103.02 164.5 11.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.546 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.589 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 13.8 t -140.65 153.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 29.7 m-85 -150.3 154.11 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.554 ' CE3' HG22 ' B' ' 96' ' ' THR . 66.2 t-105 -111.32 115.34 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 12.6 m -109.95 161.76 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 49.4 mt-10 -140.81 133.58 14.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.1 Cg_endo -75.01 -59.3 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.005 0.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -106.84 166.34 10.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.74 51.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -85.29 -48.05 9.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -73.43 -36.38 65.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.06 -72.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.61 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 4.9 m -47.3 -33.23 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 10.2 tt0 -68.58 -59.91 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.43 -22.05 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' B' ' 129' ' ' ALA . 8.3 t -89.17 -59.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.47 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -47.57 -37.27 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . 0.413 ' HA ' ' CA ' ' B' ' 132' ' ' GLY . . . -70.7 -35.98 73.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' B' ' 126' ' ' VAL . . . -55.11 -49.57 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.422 ' N ' HG22 ' B' ' 82' ' ' VAL . 23.2 m -51.79 -52.51 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.75 -55.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . 0.413 ' CA ' ' HA ' ' B' ' 128' ' ' ALA . . . 82.5 168.3 41.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.72 36.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 78.1 p -119.1 135.06 54.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 11.1 t 62.88 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.57 -58.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.76 74.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 m -61.09 -172.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 2.3 m -62.79 146.67 94.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -59.2 -55.9 29.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -40.25 -45.17 2.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.83 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -47.12 -48.71 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.572 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.86 -56.37 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -24.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ASN . 13.3 tttt -78.71 -69.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -16.38 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -144.47 -46.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 m120 -59.6 -22.24 61.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.89 -157.68 3.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -163.45 135.98 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.61 109.67 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' ND2' ' SG ' ' B' ' 130' ' ' CYS . 15.8 t-20 -55.01 114.47 7.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 71.49 4.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -166.43 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 9.2 t80 -43.68 -56.69 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.87 135.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -172.7 158.2 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 26' ' ' PHE . 11.9 m-85 -163.82 -174.34 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.5 74.98 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -165.7 115.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 ttm -105.47 161.89 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -79.12 174.55 11.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -142.01 136.32 30.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 109.944 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.24 160.49 40.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.17 178.54 43.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.79 151.6 20.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.01 164.89 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.85 126.11 0.88 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.5 p -39.19 156.24 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.59 38.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.436 1.756 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.3 63.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -149.86 146.03 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.77 177.52 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 64.46 116.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.51 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 66.3 t -142.01 154.97 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -39.25 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 64.39 150.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.481 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 56.8 m-85 -159.82 91.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -67.53 104.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.07 -164.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.27 171.5 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.99 108.93 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 -170.47 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -108.99 126.33 52.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.485 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.16 134.02 21.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.4 Cg_endo -75.02 144.52 30.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.03 175.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -113.98 -55.4 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -89.79 149.25 41.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.434 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -29.82 7.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.61 129.31 66.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.51 134.67 1.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -40.29 52.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -34.94 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.61 -25.63 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 11.2 tp -79.25 -58.24 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.34 -44.55 72.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -44.06 -46.47 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -64.2 -64.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -41.33 -50.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -61.58 -40.51 95.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -62.42 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -52.63 -45.87 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 1.4 mmt -40.47 -48.58 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -90.01 -38.41 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -39.55 -66.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -108.34 -175.51 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 33.1 m -99.68 171.54 7.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.69 -31.57 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.65 -30.02 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.68 -41.55 95.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.568 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.6 m0 -49.74 110.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 158.06 42.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -84.04 133.98 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.37 -177.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 77.1 m-20 -130.35 109.13 10.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.2 ttm -84.44 102.34 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 66' ' ' THR . 5.2 m-80 -79.4 129.22 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -132.97 104.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -105.51 -154.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' B' ' 61' ' ' ALA . 11.2 t70 -39.99 -67.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.489 ' CB ' HG23 ' B' ' 82' ' ' VAL . . . -147.43 67.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 60.6 m -158.86 134.13 8.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 49.7 t -121.94 96.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.41 ' O ' ' N ' ' B' ' 59' ' ' ASN . 25.1 m -110.31 148.79 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' B' ' 77' ' ' LEU . 61.6 t -115.52 101.13 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 14.7 mt -101.01 137.22 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.401 ' O ' ' O ' ' B' ' 72' ' ' ASN . 4.8 t -41.81 151.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.408 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -67.5 -57.38 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' B' ' 69' ' ' SER . 60.7 m-20 -72.93 140.61 47.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -0.97 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.43 2.13 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -102.14 99.23 9.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.99 162.91 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' B' ' 67' ' ' VAL . 15.2 mt -134.62 -48.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 t -146.65 142.33 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -124.41 95.05 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' B' ' 99' ' ' PHE . 13.6 t -96.15 92.22 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' B' ' 84' ' ' PHE . 22.5 mmt180 -78.44 116.32 18.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.489 HG23 ' CB ' ' B' ' 63' ' ' ALA . 24.2 m -38.59 -45.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.432 ' N ' HG22 ' B' ' 82' ' ' VAL . 0.2 OUTLIER -52.97 -50.74 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.499 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 29.5 m-85 -72.6 -37.25 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -43.2 144.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.513 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 87.5 p -118.01 -51.79 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -140.6 152.91 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.51 130.7 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.063 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.0 -156.64 9.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.7 m -127.53 166.74 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -88.75 -117.49 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -91.95 -29.8 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.21 136.8 48.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 m -74.81 -3.43 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 11.7 m80 -76.87 -19.6 57.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.7 p -102.35 160.92 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.6 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 53.9 t80 -157.68 113.65 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -116.97 156.48 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -150.1 141.89 23.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.88 124.29 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -121.46 148.06 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -91.71 102.48 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.89 65.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . 141.25 -175.87 22.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.1 88.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.424 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 56.5 mt-30 68.09 7.7 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.429 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.1 OUTLIER -59.15 143.75 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 17.7 m-85 -137.2 114.89 11.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -116.98 128.25 55.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 30.4 t -99.29 116.43 31.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.562 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.2 m-70 -107.55 109.1 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.504 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 41.8 t -90.3 158.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.7 m-85 -151.5 148.36 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -103.28 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.036 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -111.16 153.61 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.57 130.9 19.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.623 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -74.94 -58.55 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.014 -0.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -102.89 167.2 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.84 52.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -85.43 -51.13 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -64.22 -41.08 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.409 ' O ' ' CG2' ' B' ' 126' ' ' VAL . 2.6 t -60.83 -67.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.6 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 3.7 m -53.12 -32.41 47.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 8.0 tp10 -70.68 -53.72 14.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.481 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.53 -19.5 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 14.9 t -93.59 -53.57 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -52.22 -24.18 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.83 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.59 85.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.441 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 90.7 m -79.77 -45.38 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -46.64 -55.13 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 168.75 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 52.3 p -49.89 141.99 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 12.7 t 67.23 120.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.3 63.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.371 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.23 92.88 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.05 171.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 48.3 p -137.05 157.4 74.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.442 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.17 -54.75 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.6 tp10 -55.84 -55.81 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -40.95 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -64.83 -41.05 96.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 8' ' ' GLU . 54.4 mt -73.35 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 9.1 m -39.84 -48.73 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -51.89 -48.7 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.2 mtt -71.55 -13.27 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.419 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 4.3 mt-30 -87.05 -18.81 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -129.46 -96.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 16' ' ' GLN . 8.4 m-80 -34.67 -58.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.45 177.84 42.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.535 ' CE2' ' HE3' ' B' ' 88' ' ' MET . 85.2 t80 -121.85 139.15 53.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.27 95.38 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' ND2' ' SG ' ' B' ' 130' ' ' CYS . 23.4 t-20 -40.76 106.62 0.43 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 76.32 3.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -170.49 -40.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 8.9 t80 -42.14 -47.04 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 119.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -171.79 101.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.31 163.24 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 157.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -175.71 126.71 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.2 ttp -76.57 159.14 30.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.6 147.28 51.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -162.21 158.81 25.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -145.91 108.5 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.26 163.13 32.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -172.66 126.55 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.33 89.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.66 84.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 163.3 35.55 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -72.37 157.4 89.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 82.36 2.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -150.44 81.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -55.26 152.59 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.28 170.39 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -95.43 116.03 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.431 HG22 ' N ' ' B' ' 16' ' ' GLN . 2.8 p -125.36 152.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.431 ' N ' HG22 ' B' ' 15' ' ' VAL . 13.7 mt-30 -83.64 -56.49 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 16' ' ' GLN . 56.1 mttt 69.2 145.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 96.7 m-85 -157.24 103.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -71.84 98.75 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -123.65 -165.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.7 tt0 -105.02 171.08 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.72 110.01 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.48 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -70.72 -33.62 71.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.67 -176.0 16.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.481 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -100.49 128.59 46.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.481 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.64 134.69 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.481 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 142.53 27.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' B' ' 108' ' ' PHE . 17.1 m -131.61 -168.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.43 -56.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mmt-85 -89.21 150.49 45.06 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.476 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.4 Cg_endo -75.04 -19.22 17.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.74 143.25 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.11 137.18 2.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -38.22 45.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.89 -36.59 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -64.09 -40.26 95.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.02 -70.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.8 m-80 -40.98 -50.98 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.9 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.405 ' O ' ' CG ' ' B' ' 45' ' ' MET . 9.8 mt -42.38 -47.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -62.02 -44.75 96.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -57.68 -69.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' B' ' 45' ' ' MET . 16.8 mt -46.25 -52.49 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.02 -66.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.401 HG21 ' N ' ' B' ' 47' ' ' SER . 5.2 t -69.79 -50.69 40.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.401 ' N ' HG21 ' B' ' 46' ' ' THR . 0.4 OUTLIER -38.79 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -78.96 -175.59 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 68.1 m -105.37 -176.93 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -82.07 -34.28 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.63 -29.0 56.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.92 -42.26 97.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.572 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -50.8 110.3 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.82 40.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.06 130.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.92 -177.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 85.9 m-20 -131.27 112.66 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.423 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 26.9 ttm -84.11 99.76 10.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.402 ' O ' ' HA ' ' B' ' 65' ' ' VAL . 5.5 m-80 -78.35 117.48 19.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.423 ' CG2' ' HG2' ' B' ' 58' ' ' MET . 84.0 t -130.16 102.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -118.38 -139.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -32.65 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.491 ' CB ' HG23 ' B' ' 82' ' ' VAL . . . -146.53 59.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -151.72 123.41 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' B' ' 80' ' ' CYS . 66.3 t -108.43 97.45 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.1 m -110.88 141.55 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 77' ' ' LEU . 94.0 t -105.65 98.67 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' B' ' 73' ' ' GLU . 35.1 mt -93.26 145.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.68 140.11 52.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.035 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -60.66 -62.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -61.0 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -178.95 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.462 ' O ' ' CG2' ' B' ' 68' ' ' ILE . 0.5 OUTLIER -136.29 -44.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.57 22.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -114.25 97.77 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 81.2 t -75.02 153.79 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 67' ' ' VAL . 23.8 mt -122.39 -52.66 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.5 t -135.99 136.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -117.25 94.8 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.587 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 12.0 t -97.52 98.15 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' B' ' 82' ' ' VAL . 10.4 mmt180 -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.491 HG23 ' CB ' ' B' ' 63' ' ' ALA . 21.7 m -38.54 -51.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -47.8 -51.57 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.519 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 8.2 m-85 -70.45 -41.56 72.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.484 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -45.07 142.11 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 4.3 p -117.49 -54.85 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.417 ' HB3' ' CD1' ' B' ' 100' ' ' ILE . 13.3 t80 -133.78 152.36 51.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.535 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -158.36 133.89 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.46 -151.61 8.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.419 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 1.9 m -130.52 165.75 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.26 -106.45 0.87 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.47 135.53 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' B' ' 96' ' ' THR . 20.8 m -62.59 -38.48 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' B' ' 94' ' ' VAL . 5.3 m80 -39.58 -32.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.41 ' N ' ' C ' ' B' ' 94' ' ' VAL . 40.5 p -92.22 155.33 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.652 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 25.6 t80 -154.62 116.63 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -121.0 163.16 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.587 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.6 p90 -156.41 143.65 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.417 ' CD1' ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.63 125.87 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.404 ' SD ' ' CD2' ' B' ' 111' ' ' HIS . 28.7 ptm -123.92 147.65 47.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -92.75 102.4 14.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.5 60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.35 -172.34 29.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.7 89.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.594 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 36.4 mt-30 69.51 6.13 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -63.08 152.22 37.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 13.0 m-85 -140.16 133.39 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -129.09 132.44 47.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.6 t -104.27 105.14 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.6 m-70 -99.45 107.74 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.574 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.568 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 30.7 t -90.09 160.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 42.9 m-85 -151.36 164.34 36.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -119.74 109.63 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.02 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.72 161.83 14.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.9 mt-10 -142.77 136.16 14.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.0 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.973 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 118' ' ' ASN . 8.0 p-10 -110.1 167.15 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -93.18 45.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.01 -31.75 21.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -84.28 -41.37 16.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.652 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.2 t -64.98 -64.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 9.8 p -49.41 -31.86 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -74.89 -52.71 10.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.592 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.03 -18.73 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 18.9 t -93.73 -37.84 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.84 -41.37 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.78 -59.05 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.441 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 97.5 m -57.85 -43.83 86.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 25.7 t -54.1 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.54 169.39 45.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 156.5 43.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.757 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.75 95.1 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 87.9 p 54.54 100.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.22 139.43 39.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.39 76.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.66 153.93 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t -76.42 147.64 79.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.94 4.43 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' B' ' 120' ' ' ALA . 9.3 tp10 -162.33 -50.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -50.92 -29.35 11.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -65.18 -47.63 76.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -59.32 -35.59 74.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 38.0 mt -78.81 -43.12 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 2.7 m -62.31 -13.56 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' ASN . 1.5 ttpt -87.02 -70.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.412 ' HA ' ' CA ' ' A' ' 18' ' ' GLY . 10.7 mtt -47.68 -24.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -51.41 -57.32 9.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -115.36 -39.83 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.4 m-80 -69.86 -20.57 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.412 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 44.52 -167.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 93.0 t80 -144.1 139.58 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.44 115.0 23.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 6.5 t-20 -57.64 122.23 54.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.02 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.8 t -47.71 -44.56 27.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.16 -168.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.25 39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 57.49 167.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -50.26 178.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.67 164.95 14.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -162.56 88.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.47 85.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.45 118.99 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.7 p30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.32 124.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.72 161.19 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.53 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.23 138.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.66 169.52 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.11 165.93 30.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.92 5.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 8.8 t -114.31 145.82 34.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.4 Cg_endo -74.95 -169.84 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.43 172.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -144.95 131.47 19.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.31 177.93 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.63 128.42 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.447 HG13 ' N ' ' B' ' 16' ' ' GLN . 71.8 t -121.36 139.77 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.447 ' N ' HG13 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -56.61 -47.48 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 47.9 mttt 64.27 149.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' B' ' 125' ' ' ALA . 56.1 m-85 -159.68 104.07 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 118.56 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -146.83 -166.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -108.53 170.9 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . 0.401 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.0 OUTLIER -122.32 113.76 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.71 -46.76 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.29 177.62 15.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ttp -96.93 128.91 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.462 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -114.52 134.48 22.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 142.29 27.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.28 -168.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -82.54 150.83 64.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.12 9.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.34 151.45 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 128.83 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.13 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 -21.53 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -84.77 -26.93 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -77.56 -66.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.9 m-80 -40.71 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -38.77 -42.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.063 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.462 ' O ' ' CG ' ' B' ' 45' ' ' MET . 4.1 mt -41.18 -51.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.61 -40.88 80.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.6 OUTLIER -61.45 -69.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 26.8 mt -47.79 -48.86 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -38.01 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.425 HG21 ' N ' ' B' ' 47' ' ' SER . 4.6 t -68.72 -51.16 44.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.425 ' N ' HG21 ' B' ' 46' ' ' THR . 0.5 OUTLIER -36.94 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.969 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -80.78 177.9 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 46.9 m -100.29 177.49 5.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -79.64 -36.59 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.4 -21.11 53.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.68 -40.77 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.561 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 17.5 m0 -50.62 106.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.96 147.19 33.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 147.49 40.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.73 177.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -121.37 107.22 12.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.7 tpp -82.49 106.42 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -84.25 117.4 23.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 39.2 t -117.46 97.75 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -93.78 -168.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -39.05 -58.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.46 ' CB ' HG12 ' B' ' 82' ' ' VAL . . . -148.04 65.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 21.4 m -160.08 137.44 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -125.98 96.39 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.411 ' CG2' ' HG3' ' B' ' 79' ' ' GLU . 26.5 m -111.05 147.25 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 77.7 t -116.74 99.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 17.8 mt -94.19 147.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.91 130.32 45.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.41 -53.56 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -65.06 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.41 122.39 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -4.2 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.3 29.76 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -126.56 89.87 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.98 147.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.5 mt -120.3 -52.9 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.9 t -138.35 139.91 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.411 ' HG3' ' CG2' ' B' ' 66' ' ' THR . 5.1 tt0 -125.87 95.68 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.566 ' SG ' ' CD1' ' B' ' 99' ' ' PHE . 22.7 t -95.28 88.93 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.51 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 1.4 mpt_? -63.73 112.26 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.461 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -40.71 -44.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -57.57 -44.84 85.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.51 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 14.0 m-30 -75.9 -30.99 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.479 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.7 OUTLIER -49.29 131.19 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 -60.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' B' ' 88' ' ' MET . 12.2 t80 -138.68 163.8 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.643 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.5 OUTLIER -169.91 131.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.67 -151.08 5.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.42 HG22 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -127.56 167.17 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.459 ' CA ' HD11 ' B' ' 41' ' ' ILE . . . -87.46 -106.59 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.99 -31.78 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.04 147.02 33.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 11.7 m -77.07 -3.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.631 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 6.1 m80 -77.02 -23.32 52.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.0 p -96.22 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.494 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 25.0 t80 -155.87 112.65 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -110.69 169.83 8.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.566 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 5.3 p90 -163.41 141.5 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -94.62 129.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.6 ptm -125.49 148.43 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -100.9 103.12 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 64.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.12 -161.42 29.36 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -50.59 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 2.5 mp0 -122.68 0.85 9.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.1 OUTLIER -57.4 153.95 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.3 m-85 -140.97 141.21 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -124.31 133.33 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 53.6 t -107.76 110.99 22.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 108.319 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' B' ' 98' ' ' ALA . 97.4 m-70 -100.64 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.579 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 5.1 t -143.77 152.97 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 25.6 m-85 -148.82 156.47 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -106.73 116.35 31.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.44 151.23 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.7 OUTLIER -135.51 128.68 18.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.631 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -59.76 0.11 OUTLIER 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 0.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.419 ' ND2' ' HB3' ' B' ' 120' ' ' ALA . 42.8 p30 -101.3 177.16 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -102.65 43.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.44 ' HB2' ' CG ' ' A' ' 7' ' ' GLU . . . -86.03 -31.66 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -89.7 -17.53 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.494 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.2 t -87.18 -71.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.415 ' O ' ' N ' ' B' ' 127' ' ' GLN . 18.6 p -45.26 -32.56 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' B' ' 127' ' ' GLN . 27.2 tp10 -68.58 -60.3 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.574 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . . . -48.75 -24.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 t -93.22 -31.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' B' ' 124' ' ' GLU . 5.9 tt0 -74.84 -26.98 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.28 -16.64 32.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.39 -45.64 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.404 ' SG ' ' CG ' ' A' ' 21' ' ' ASN . 3.5 m -46.02 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m -165.58 -57.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.36 168.73 44.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.39 104.54 16.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.55 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.96 153.07 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 46.34 84.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -156.98 -171.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' N ' ' CG1' ' A' ' 4' ' ' VAL . 1.3 m -71.51 141.8 85.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -27.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.87 -29.15 55.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -81.02 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -50.13 -32.03 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -64.11 -35.57 81.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' MET . 66.9 mt -81.3 -44.73 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.26 -34.18 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -68.05 -35.65 78.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.459 ' HE1' ' CB ' ' A' ' 19' ' ' TYR . 4.1 mtt -84.11 -11.64 56.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.61 -35.99 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.6 OUTLIER -115.04 -84.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLN . 12.2 m-80 -39.95 -54.13 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.46 -144.25 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 81.6 t80 -165.02 136.09 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -126.8 97.82 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 48.7 t30 -41.63 108.48 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.32 3.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -172.97 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.439 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 10.7 t80 -36.99 -53.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.6 96.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.21 146.2 19.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 54.6 98.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -113.18 -62.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 69.95 96.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 134.94 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -72.66 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -169.4 86.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.004 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -139.37 147.82 42.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.83 87.34 0.66 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -133.48 130.51 38.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -143.66 116.71 8.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 145.89 14.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.04 40.53 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.9 128.95 39.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.79 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -86.05 173.99 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.0 m -68.66 146.45 52.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -145.56 158.16 43.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.95 120.8 13.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.408 HG11 ' N ' ' B' ' 16' ' ' GLN . 73.9 t -116.33 150.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.408 ' N ' HG11 ' B' ' 15' ' ' VAL . 0.1 OUTLIER -70.26 -57.58 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 18' ' ' PHE . 41.5 mttt 69.18 148.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.408 ' CG ' ' O ' ' B' ' 17' ' ' LYS . 59.6 m-85 -161.91 104.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -70.63 110.3 5.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 m -136.25 -165.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' B' ' 53' ' ' TRP . 2.0 tt0 -109.08 171.26 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.41 106.84 9.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.528 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -65.64 -39.48 91.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.54 17.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.403 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -99.96 128.24 46.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.491 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.63 134.04 23.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.491 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 148.25 34.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.79 -167.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -60.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -86.39 152.45 55.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.14 13.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.7 158.73 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.34 136.06 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.55 -49.99 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 111.023 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -39.24 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.8 m -62.17 -33.42 74.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -72.75 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -40.65 -53.32 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -48.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.32 -67.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' B' ' 45' ' ' MET . 13.6 mt -43.76 -46.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.81 -37.19 86.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.6 OUTLIER -67.44 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.428 HD13 ' CG2' ' B' ' 112' ' ' VAL . 34.6 mt -50.5 -36.11 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.2 mmt -53.74 -42.24 67.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.9 t -100.48 -8.94 22.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' ' O ' ' B' ' 43' ' ' ASN . 1.1 t -74.12 -52.77 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -126.09 171.17 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 38.9 m -87.21 -172.96 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.564 ' NZ ' ' CZ2' ' B' ' 114' ' ' TRP . 0.4 OUTLIER -83.46 -37.06 23.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.9 -29.57 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.61 -41.27 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.2 m0 -53.71 109.03 1.29 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.53 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -75.37 131.18 40.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.418 HG13 ' CD1' ' B' ' 77' ' ' LEU . 29.7 m -133.87 171.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -119.17 108.63 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.0 tpp -82.31 99.18 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -78.67 133.16 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 20.0 t -136.87 107.18 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.57 -150.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' B' ' 82' ' ' VAL . . . -148.52 66.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 51.3 m -158.94 133.7 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -120.96 99.15 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.409 ' CG2' ' HG3' ' B' ' 79' ' ' GLU . 40.1 m -115.08 134.46 55.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.476 HG21 ' CE2' ' B' ' 113' ' ' PHE . 44.6 t -105.13 102.88 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.406 HG23 ' N ' ' B' ' 69' ' ' SER . 15.6 mt -96.27 149.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.406 ' N ' HG23 ' B' ' 68' ' ' ILE . 0.9 OUTLIER -58.25 122.29 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.89 -59.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -60.8 119.05 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.92 -7.94 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.4 26.94 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -133.89 100.32 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.11 152.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.418 ' CD1' HG13 ' B' ' 56' ' ' VAL . 42.2 mt -118.94 -51.97 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.479 HG23 ' CE1' ' B' ' 111' ' ' HIS . 2.4 t -139.79 137.47 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.475 ' O ' ' CE ' ' B' ' 101' ' ' MET . 6.0 tt0 -120.97 94.57 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.615 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 9.1 t -99.37 88.54 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' B' ' 84' ' ' PHE . 7.8 mmt85 -69.66 114.09 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.463 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.26 -39.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 9.3 m-85 -71.78 -38.68 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.45 143.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.267 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 3.1 p -119.21 -51.98 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.963 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -137.31 157.01 47.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.26 141.27 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.86 -149.17 7.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.9 m -127.82 171.33 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.03 -107.5 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -99.04 -29.55 12.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.407 ' O ' ' OG1' ' B' ' 96' ' ' THR . 0.4 OUTLIER -119.98 111.21 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' B' ' 95' ' ' HIS . 9.7 m -40.39 -42.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' B' ' 94' ' ' VAL . 2.0 m80 -38.7 -35.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.0 p -91.05 130.53 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.49 ' HB2' ' CB ' ' B' ' 119' ' ' ALA . 40.7 t80 -129.85 113.06 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.453 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -109.05 165.9 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.615 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.0 p90 -164.87 142.62 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -94.55 129.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 26.5 ptm -119.98 147.71 44.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -90.77 114.47 26.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -91.77 60.52 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.37 -97.19 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -55.61 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.605 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 13.3 mt-30 -66.08 -14.01 61.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.43 138.14 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.605 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 16.3 m-85 -134.8 134.9 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 156.17 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 35.3 t -114.73 152.06 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.584 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.8 m-70 -140.47 109.83 6.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.61 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 37.0 t -93.8 162.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.61 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 33.8 m-85 -151.92 174.11 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.564 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 26.6 t-105 -132.89 94.16 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 14.7 m -94.79 161.2 14.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 10.8 mt-10 -137.21 134.05 18.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.05 -54.91 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.999 0.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -112.92 169.21 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.49 ' CB ' ' HB2' ' B' ' 97' ' ' PHE . . . -91.32 27.38 1.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -69.42 -33.22 72.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -79.18 -38.55 35.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.534 ' CG2' ' N ' ' B' ' 123' ' ' SER . 0.9 OUTLIER -74.93 -51.08 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.534 ' N ' ' CG2' ' B' ' 122' ' ' VAL . 98.3 p -56.47 -39.48 73.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.7 -36.3 73.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.5 ' O ' ' CG1' ' B' ' 60' ' ' VAL . . . -71.95 -22.93 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 19.9 t -93.28 -45.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -62.72 -41.52 99.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.89 -23.11 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.25 -41.67 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 12.8 m -56.17 -39.98 73.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 29.4 t -168.28 -69.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.28 168.6 44.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.29 128.85 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 96.7 p -161.4 132.43 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.5 121.9 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.34 156.09 16.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -100.55 -174.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 7.2 m -80.53 143.24 54.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.0 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.36 -22.07 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -90.97 -45.5 8.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -38.73 75.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -65.68 -30.35 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' MET . 81.0 mt -84.76 -56.22 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 19.6 m -43.37 -33.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.1 mtt -72.42 -28.9 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -53.3 -32.77 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -127.29 -82.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.522 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 2.7 m-80 -34.51 -44.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.2 -170.95 46.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' CE1' ' CE ' ' B' ' 88' ' ' MET . 53.4 t80 -137.69 129.3 28.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.82 103.33 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 18.5 t-20 -47.5 108.52 0.9 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 73.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -162.22 -43.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -39.93 113.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.92 107.31 9.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.2 -48.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -87.35 -173.85 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -166.21 76.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -132.47 159.4 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.8 mtm -113.1 130.24 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -29.53 63.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m 61.51 126.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 158.27 4.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.73 154.41 9.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.79 152.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.65 163.94 10.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 114.22 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.96 32.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -121.17 154.2 58.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -175.39 2.33 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 136.22 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -118.22 148.63 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -123.16 118.8 28.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 70.55 133.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.502 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 22.1 t -139.71 156.81 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -39.09 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 63.42 151.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 24.3 m-85 -159.17 94.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -71.11 100.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.87 -165.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.1 tt0 -104.3 170.74 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 106.09 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.441 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -68.12 -35.04 77.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.91 -170.71 18.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.0 ttp -107.2 130.67 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -119.69 134.24 23.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 146.1 32.28 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.438 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 16.4 m -137.81 165.75 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.47 -51.65 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -99.31 153.95 37.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -25.02 12.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 23.4 m -130.72 164.4 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.52 125.8 2.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -30.48 68.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.83 -32.22 70.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.438 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 98.3 m -76.35 -51.7 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.4 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -42.2 -50.04 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -50.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -59.25 -68.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.416 HD12 ' CA ' ' B' ' 91' ' ' GLY . 20.9 mt -39.85 -49.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.4 OUTLIER -57.75 -70.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 32.7 mt -45.53 -51.82 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.411 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.1 mmt -36.91 -61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.405 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.0 t -75.88 -40.66 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 46' ' ' THR . 1.9 t -39.02 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -106.04 -176.38 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.508 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 50.3 m -95.33 -174.18 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.56 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.59 -36.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.93 -19.82 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -37.34 77.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 8.6 m0 -57.05 110.49 2.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.3 37.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -85.35 133.11 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.35 168.55 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -118.1 107.31 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 ttm -83.76 103.7 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.409 ' ND2' HD13 ' B' ' 68' ' ' ILE . 9.4 m-20 -79.33 128.87 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 26.2 t -131.89 106.67 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.86 -154.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.44 -59.29 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' B' ' 64' ' ' THR . . . -152.53 67.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 19.9 m -158.01 136.91 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -125.71 96.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.6 m -111.17 145.34 38.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' B' ' 77' ' ' LEU . 83.1 t -110.77 99.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.409 HD13 ' ND2' ' B' ' 59' ' ' ASN . 46.7 mt -95.94 144.57 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.22 127.09 29.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -61.97 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.92 118.76 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.98 -9.47 58.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 25.34 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -122.81 108.17 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 90.4 t -79.49 149.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 67' ' ' VAL . 17.4 mt -123.2 -49.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.435 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.6 t -141.0 142.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -124.06 97.14 5.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 10.5 t -96.83 99.06 10.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 0.8 OUTLIER -81.86 114.05 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 35.8 m -40.31 -33.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.448 ' N ' HG21 ' B' ' 82' ' ' VAL . 0.0 OUTLIER -63.83 -50.47 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 20.2 m-85 -77.91 -19.13 55.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.503 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 1.4 tt -63.58 136.71 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.413 ' N ' HD23 ' B' ' 85' ' ' LEU . 5.1 p -111.4 -65.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -120.14 154.62 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.467 ' CE ' ' CE1' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -168.54 119.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 -138.1 2.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -136.95 167.77 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.432 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -91.62 -99.84 1.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -104.71 -32.97 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.523 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -107.03 140.17 40.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 2.5 m -73.36 -24.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.523 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 2.9 m80 -60.29 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -103.03 157.15 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.68 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 38.7 t80 -158.38 118.14 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -122.5 163.82 19.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.1 p90 -157.3 141.48 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -95.06 124.76 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -120.54 142.93 48.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.38 102.48 14.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.96 59.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 157.74 -167.73 34.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.75 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.574 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 41.2 mt-30 -138.02 12.58 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -60.36 146.68 43.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.574 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 13.1 m-85 -136.11 123.92 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -121.28 132.45 54.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 51.4 t -105.65 117.0 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.326 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 91.5 m-70 -110.24 112.8 24.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.606 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 33.0 t -92.65 164.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 59.1 m-85 -155.89 155.57 33.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -111.99 107.59 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 4.5 m -103.84 151.96 22.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 53.2 mt-10 -134.14 134.38 22.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.029 -0.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 36.4 p30 -107.31 169.59 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.94 41.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -75.04 -42.91 56.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -74.27 -49.59 22.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.68 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.5 t -53.64 -66.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 58.8 p -44.04 -52.9 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.64 -54.11 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.74 -29.62 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 t -90.01 -37.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.446 ' NE2' ' OG ' ' B' ' 134' ' ' SER . 4.2 tt0 -57.84 -38.07 74.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.99 -22.27 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.02 -25.75 60.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 56.3 m -81.47 -3.95 54.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.95 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 141.08 163.01 9.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' SER . . . . . 0.446 ' OG ' ' NE2' ' B' ' 127' ' ' GLN . 0.6 OUTLIER -74.3 87.75 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.42 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.02 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.29 108.7 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.63 152.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 t -101.6 146.63 32.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 56.81 4.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -158.21 -54.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -51.45 -26.52 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.73 -42.0 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.442 ' CE1' ' OE1' ' B' ' 127' ' ' GLN . 5.8 t60 -68.19 -38.89 82.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 109.604 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' SER . 83.2 mt -73.67 -67.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 46.4 t -38.19 -35.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -71.28 -55.17 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -52.62 -21.07 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 6.0 mt-30 -69.93 -42.82 72.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -103.86 -84.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 4.9 m-80 -39.27 -53.91 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.7 -162.63 49.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 65.3 t80 -139.26 130.75 27.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.53 119.12 32.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 2.0 t-20 -80.02 117.91 69.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -39.5 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -40.16 -39.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 7.6 t80 -49.58 159.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.72 159.16 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -178.74 39.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -71.65 96.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -130.37 171.62 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -163.73 75.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.3 -56.33 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 64.1 -179.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.31 164.95 5.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 0.731 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.86 164.46 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.99 -156.49 7.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -179.88 134.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -138.22 165.39 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.93 98.5 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 172.26 16.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 54.1 p -138.77 156.98 72.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.53 16.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.408 ' O ' ' CG2' ' B' ' 12' ' ' THR . 4.3 mttm -128.69 144.41 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' B' ' 13' ' ' GLU . 9.3 t 44.54 -167.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' OG1' ' B' ' 12' ' ' THR . 4.5 tt0 -118.53 139.48 51.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.08 119.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -120.16 150.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -60.28 -50.38 73.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 56.3 mttt 59.39 154.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' B' ' 17' ' ' LYS . 73.4 m-85 -161.96 103.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 110.81 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.1 -167.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.346 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.436 ' CB ' ' HB3' ' B' ' 114' ' ' TRP . 1.1 tt0 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.81 118.44 27.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.21 -32.91 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.85 -169.56 15.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.458 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -106.13 125.27 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.474 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.12 133.76 22.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.06 158.3 42.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -144.75 -177.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.17 -45.09 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -104.77 154.36 38.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.26 4.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.64 165.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.31 125.65 2.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -70.68 -22.22 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -36.18 50.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -69.53 -51.8 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -50.76 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -47.71 -48.35 29.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.28 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' B' ' 45' ' ' MET . 25.1 mt -40.41 -50.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.7 -43.31 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.405 ' CB ' HD11 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -59.46 -70.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 22.2 mt -46.33 -50.12 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.5 mmt -36.57 -57.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -81.24 -36.83 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -40.73 -67.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -109.87 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 74.8 m -95.29 -178.49 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.97 -38.94 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.37 -31.93 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.51 -43.29 99.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 26.3 m0 -48.37 105.83 0.54 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.01 36.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.27 145.42 35.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' B' ' 67' ' ' VAL . 19.6 m -145.79 -176.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -128.8 110.47 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.468 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 22.7 ttm -82.85 105.71 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -80.96 116.14 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 40.6 t -120.77 98.67 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -98.73 -163.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 2.6 t0 -40.42 -49.07 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' B' ' 82' ' ' VAL . . . -161.64 68.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 20.8 m -160.31 125.85 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 53.5 t -116.53 95.75 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.472 ' CG2' ' HG3' ' B' ' 79' ' ' GLU . 20.9 m -114.38 144.73 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' B' ' 77' ' ' LEU . 94.0 t -110.02 97.59 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.6 mt -94.67 142.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.2 t -51.59 142.92 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -56.98 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -59.44 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -81.56 121.28 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.25 -1.45 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.77 11.3 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -118.72 107.58 13.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 51.0 t -75.24 157.89 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' B' ' 67' ' ' VAL . 17.9 mt -126.76 -48.28 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.53 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.6 t -143.26 145.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.502 ' O ' ' CE ' ' B' ' 101' ' ' MET . 0.9 OUTLIER -128.71 110.02 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.6 t -114.08 88.65 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.4 mpt_? -71.59 123.04 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' B' ' 63' ' ' ALA . 10.9 m -43.47 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' B' ' 81' ' ' ARG . 71.8 mmt-85 -68.71 -46.6 68.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 12.1 m-85 -78.04 -39.74 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.432 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.11 128.23 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.551 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 5.7 p -99.02 -58.13 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 71.1 t80 -145.03 153.03 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.521 ' HE3' ' CD2' ' A' ' 19' ' ' TYR . 0.4 OUTLIER -155.3 139.63 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.52 -163.38 20.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.454 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 2.0 m -121.06 163.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.0 -131.33 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.54 -22.63 50.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.16 139.1 52.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.03 -17.0 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -68.05 -12.63 61.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.637 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 62.3 p -111.66 132.88 54.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.572 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 64.0 t80 -131.41 119.1 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.453 ' CB ' HG22 ' B' ' 112' ' ' VAL . . . -118.03 166.81 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.602 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.5 p90 -161.44 148.06 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.4 mt -100.03 138.66 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.502 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 2.3 ppp? -131.28 159.37 38.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -107.86 106.01 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.439 ' CG2' ' SD ' ' B' ' 101' ' ' MET . 4.6 p -75.37 -66.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.16 -112.84 2.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' B' ' 106' ' ' GLN . 7.6 p30 -64.58 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.64 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 90.1 mt-30 -52.57 -19.65 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 139.07 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.64 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 19.3 m-85 -139.02 145.25 39.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.23 145.11 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.8 t -116.52 118.05 31.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.56 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.7 m-70 -109.21 123.81 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.566 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 17.6 t -104.48 165.97 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.566 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 53.2 m-85 -153.6 163.57 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.513 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 45.3 t-105 -118.56 105.62 11.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.36 159.88 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.474 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 4.3 mt-10 -141.73 130.33 12.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -62.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.013 -0.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -96.94 176.16 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -104.84 38.07 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -74.09 -53.85 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.57 -40.17 96.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 2.1 t -66.05 -71.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.572 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 72.6 m -45.93 -29.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 37.3 tp10 -74.56 -52.03 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.499 ' O ' ' CG1' ' B' ' 60' ' ' VAL . . . -53.68 -24.35 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 11.9 t -93.37 -39.84 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.442 ' OE1' ' CE1' ' A' ' 10' ' ' HIS . 25.2 tt0 -63.48 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.7 30.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.81 -51.43 64.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.405 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 59.7 m -54.57 -50.36 68.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 6.3 m -171.65 -61.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.06 168.45 43.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -39.08 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.7 m 60.9 149.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 70.4 p -163.74 153.73 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.05 112.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -41.14 151.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.5 p -99.91 158.17 32.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.22 -58.32 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.98 -26.8 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -43.79 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -55.82 -21.5 19.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.607 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' B' ' 120' ' ' ALA . 18.1 mt -98.29 -50.34 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 22.8 t -41.89 -31.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 19.9 pttt -80.35 -49.78 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.426 ' HE2' ' CB ' ' A' ' 19' ' ' TYR . 1.6 mtt -59.53 -12.26 6.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.401 ' HG2' ' CG2' ' B' ' 90' ' ' VAL . 3.0 mt-30 -74.17 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -106.2 -42.35 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' LYS . 15.6 m-80 -73.73 -8.45 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 35.47 -151.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 90.1 t80 -161.46 137.5 8.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.03 108.38 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 35.9 t-20 -52.7 109.11 1.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.28 4.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 24' ' ' TYR . 5.7 t -170.92 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.465 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 11.6 t80 -37.26 -47.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 12.7 tmtt? 54.71 97.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -172.27 133.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.29 175.54 11.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 64.21 137.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -153.29 148.28 26.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.19 53.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 39.86 48.59 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -89.15 83.14 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -82.07 -59.22 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.58 1.52 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -132.83 157.69 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -113.77 109.24 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.11 0.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 76.8 p -42.16 144.89 0.83 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.3 Cg_endo -75.05 60.36 5.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -69.2 158.2 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 67.5 m 64.37 147.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.23 168.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' B' ' 14' ' ' LEU . 0.0 OUTLIER -126.13 144.89 50.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.432 ' O ' ' CD2' ' B' ' 14' ' ' LEU . 54.2 t -103.61 150.55 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -61.41 -50.06 74.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 16' ' ' GLN . 56.5 mttt 60.85 148.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' CB ' ' B' ' 125' ' ' ALA . 77.1 m-85 -157.55 104.98 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 118.58 14.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.416 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -147.76 -162.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.416 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 mt-30 -112.66 169.09 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.73 99.76 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -36.46 79.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.44 -175.23 18.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttp -103.45 131.05 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.482 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.91 133.58 23.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.482 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 144.59 30.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.48 -165.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.51 -57.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -80.11 151.26 72.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.66 6.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 m -136.27 149.51 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.37 123.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -23.22 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.79 -24.01 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -81.01 -46.98 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.07 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -46.15 -48.31 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -80.33 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.4 mt -40.78 -41.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -69.8 -50.7 40.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -60.28 3.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' B' ' 112' ' ' VAL . 54.0 mt -53.04 -52.79 57.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mmt -39.31 -65.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.44 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.1 t -67.83 -46.9 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 46' ' ' THR . 40.8 t -35.89 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -95.39 -176.79 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.524 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 57.2 m -96.59 -178.3 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.083 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.97 -39.09 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.91 -26.87 49.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.29 -31.4 70.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 9.5 m0 -63.53 112.31 6.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 168.03 25.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -94.42 131.38 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.19 -175.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -132.24 107.38 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.0 ttm -83.03 105.08 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -85.62 128.69 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 21.9 t -132.2 101.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -104.83 -149.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -37.09 -84.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' B' ' 82' ' ' VAL . . . -135.15 65.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -157.65 144.06 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 38.4 t -128.39 100.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.476 ' CG2' HG22 ' B' ' 76' ' ' VAL . 50.8 m -113.81 129.92 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -101.54 103.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mt -99.49 155.54 4.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.44 146.02 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -55.32 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.89 -77.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 1.5 m120 -40.75 -68.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 2.5 tt0 85.96 -13.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -122.69 11.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -108.86 95.02 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.476 HG22 ' CG2' ' B' ' 66' ' ' THR . 13.1 p -54.28 138.12 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 12.9 mt -117.08 -57.61 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.46 HG22 ' CE1' ' B' ' 111' ' ' HIS . 2.7 t -134.19 126.18 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -112.27 94.02 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.5 t -96.98 91.27 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.574 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 12.4 mmt180 -69.37 124.29 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -55.34 -19.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -81.4 -27.08 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.604 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 21.2 m-85 -98.56 -32.51 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.481 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.75 135.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.478 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 89.8 p -102.55 -66.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.043 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' B' ' 88' ' ' MET . 57.0 t80 -135.54 165.19 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' B' ' 130' ' ' CYS . 0.0 OUTLIER -169.7 134.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.63 -161.47 10.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.401 ' CG2' ' HG2' ' A' ' 15' ' ' GLN . 1.8 m -126.69 146.76 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.42 -136.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -81.52 -6.4 58.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.22 137.51 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.404 ' O ' ' CB ' ' B' ' 119' ' ' ALA . 17.3 m -68.89 -22.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -61.08 -21.25 63.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 68.0 p -104.07 134.46 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.606 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 48.2 t80 -134.59 115.52 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -112.46 171.54 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.575 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.1 p90 -169.79 146.2 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.403 ' CG2' ' OG ' ' B' ' 86' ' ' SER . 4.0 mt -95.12 148.84 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 ptm -141.8 151.55 42.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -109.48 102.3 11.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 10.4 p -79.41 -32.58 42.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.78 149.4 7.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 54.62 -171.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.588 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 36.4 mt-30 -62.09 -11.78 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -56.52 139.34 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.588 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 17.3 m-85 -139.15 132.67 30.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.3 147.4 35.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -119.68 135.4 54.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.46 ' CE1' HG22 ' B' ' 78' ' ' VAL . 92.6 m-70 -121.5 161.45 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.569 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.3 t -144.71 151.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 12.7 m-85 -145.41 161.96 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -115.07 109.62 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.049 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 23.1 m -95.07 162.16 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.255 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.429 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.2 mt-10 -141.12 125.11 10.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.429 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -63.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.989 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -93.54 171.02 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 94' ' ' VAL . . . -101.23 44.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 11' ' ' LEU . . . -81.41 -59.22 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -57.03 -30.67 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.1 -65.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.606 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 37.3 m -51.0 -37.2 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.41 -53.52 23.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.568 ' CB ' ' CZ ' ' B' ' 18' ' ' PHE . . . -54.4 -20.64 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 14.7 t -93.34 -45.33 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -40.53 97.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.6 63.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.17 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 53.5 m -51.86 -49.02 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.23 -58.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 168.47 43.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.5 3.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 59.7 p -104.56 153.17 21.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -56.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.78 148.39 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.43 84.14 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 m -61.45 -159.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 51.2 m -78.45 143.43 64.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.0 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -58.19 -43.46 87.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 11' ' ' LEU . 3.8 tp10 -63.69 -51.35 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -47.55 16.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.07 -35.3 66.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' GLU . 95.2 mt -80.1 -52.18 8.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -44.02 -27.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.01 -55.6 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.54 -13.36 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -79.31 -10.23 59.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -157.71 -75.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -41.6 -28.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 52.97 -173.4 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CE2' ' HE2' ' B' ' 88' ' ' MET . 89.1 t80 -136.09 139.4 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.39 118.13 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 1.7 t-20 -64.86 117.38 38.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.37 8.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -58.84 -43.33 90.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 9.2 t80 -47.33 -55.39 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.72 82.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -76.41 107.86 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.5 173.27 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.78 59.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -150.2 121.68 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -111.49 96.48 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' C ' ' O ' ' A' ' 30' ' ' MET . 3.6 pp0? 28.96 45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' MET . 47.9 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -177.54 146.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -163.97 166.63 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.21 143.48 3.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 115.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.33 149.66 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.95 99.47 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.74 24.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -82.7 124.55 77.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.54 24.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -139.19 116.98 11.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.7 p -132.71 159.31 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -130.82 116.52 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 69.41 130.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.506 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 20.4 t -141.56 157.53 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -39.54 20.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 63.2 151.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.563 ' CZ ' ' HB1' ' B' ' 125' ' ' ALA . 31.9 m-85 -159.31 95.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 107.45 4.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.35 -167.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.54 168.84 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.69 117.12 24.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -40.64 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.15 -174.27 20.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ttp -104.65 127.59 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.81 133.78 23.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.5 Cg_endo -75.02 156.42 42.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' B' ' 110' ' ' CYS . 16.7 m -144.84 -163.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -61.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -86.38 154.31 56.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.8 19.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.83 178.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.84 126.39 3.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.77 80.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.93 -44.71 96.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.6 m -55.43 -25.93 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.08 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' SER . 5.1 m-80 -41.98 -47.72 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' ASN . 5.9 t -38.64 -52.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.63 -67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.413 HD13 ' CA ' ' B' ' 91' ' ' GLY . 6.1 mt -43.31 -54.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -54.04 -40.09 66.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -70.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.46 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 17.6 mt -47.7 -46.52 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -37.58 -40.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -104.46 -32.55 8.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -39.95 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m -131.36 168.65 17.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 52.7 m -97.16 168.73 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.578 ' HD3' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.26 -39.56 68.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.09 -16.37 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.03 -44.32 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.578 ' CE3' ' HD3' ' B' ' 50' ' ' LYS . 27.0 m0 -45.61 107.05 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.74 19.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.1 p -92.64 133.63 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.7 -177.25 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' B' ' 70' ' ' GLU . 17.1 m-20 -132.15 112.81 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.4 ttm -91.62 105.74 17.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.42 ' ND2' HD12 ' B' ' 68' ' ' ILE . 16.9 m-20 -83.68 125.63 32.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.401 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 24.6 t -127.05 106.53 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.29 -155.32 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -40.94 -66.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.464 ' CB ' HG12 ' B' ' 82' ' ' VAL . . . -147.5 68.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -158.56 144.4 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -132.18 100.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' B' ' 79' ' ' GLU . 28.2 m -117.22 140.15 49.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' B' ' 77' ' ' LEU . 65.9 t -106.98 100.37 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.42 HD12 ' ND2' ' B' ' 59' ' ' ASN . 40.3 mt -95.76 142.46 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.412 ' O ' ' O ' ' B' ' 72' ' ' ASN . 0.3 OUTLIER -52.14 143.98 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' OD1' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.68 -56.53 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.8 -67.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' B' ' 69' ' ' SER . 42.1 m-20 -94.42 124.49 38.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.78 40.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -44.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.03 113.76 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.265 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.0 t -77.83 152.54 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' B' ' 67' ' ' VAL . 18.3 mt -121.78 -52.56 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.536 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.6 t -140.12 143.52 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.481 ' HG2' ' CZ ' ' B' ' 81' ' ' ARG . 0.7 OUTLIER -127.76 96.78 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.57 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.5 t -98.67 89.96 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.481 ' CZ ' ' HG2' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -64.0 113.72 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.464 HG12 ' CB ' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -44.78 -27.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.9 OUTLIER -72.07 -43.73 64.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.2 m-30 -75.82 -38.7 57.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.484 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -39.39 151.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -128.33 -55.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' B' ' 88' ' ' MET . 11.3 t80 -129.96 158.14 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.474 ' HE2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -168.83 132.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.35 -150.95 6.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.148 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 2.0 m -129.16 166.03 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.413 ' CA ' HD13 ' B' ' 41' ' ' ILE . . . -84.35 -101.86 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -109.49 -22.68 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.04 146.95 41.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' B' ' 119' ' ' ALA . 3.3 m -79.47 -3.78 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 22.0 m80 -76.87 -24.93 52.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 43.3 p -98.5 161.15 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 29.6 t80 -158.51 113.16 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -111.88 173.09 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.57 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -169.61 143.68 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -95.18 131.18 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.5 ptm -119.37 140.76 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -90.59 109.27 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 31.0 p -90.15 48.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.32 -91.46 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' B' ' 107' ' ' ARG . 1.9 m-20 -49.5 157.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.601 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 0.4 OUTLIER -43.32 -26.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' B' ' 105' ' ' ASN . 0.8 OUTLIER -56.18 139.73 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 14.4 m-85 -132.37 140.78 48.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -112.39 151.32 29.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.45 ' HB2' ' CG1' ' B' ' 28' ' ' VAL . 13.4 t -118.36 152.72 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.536 ' CE1' HG23 ' B' ' 78' ' ' VAL . 94.1 m-70 -135.88 164.53 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.604 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 4.6 t -148.61 152.24 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 14.9 m-85 -148.19 161.26 41.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -114.1 111.05 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -107.35 152.36 24.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 108.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.8 134.11 20.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.568 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -74.98 -54.93 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.0 0.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.461 ' CB ' HG23 ' B' ' 94' ' ' VAL . 16.4 p30 -107.9 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -103.06 32.2 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.28 73.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -83.74 -49.32 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.7 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.1 t -56.39 -61.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.8 p -52.05 -37.8 54.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.9 -56.4 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.563 ' HB1' ' CZ ' ' B' ' 18' ' ' PHE . . . -49.23 -24.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' B' ' 97' ' ' PHE . 20.9 t -93.68 -39.57 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -63.88 -33.41 75.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.07 -26.9 33.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' B' ' 82' ' ' VAL . . . -68.04 -49.72 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 3.1 m -48.7 -46.13 40.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.02 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.01 168.08 42.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 67.0 m -39.86 111.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.3 t -130.97 132.62 45.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.29 -63.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.26 116.5 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 5' ' ' THR . 38.6 t -73.96 154.93 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.438 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 17.3 m -81.3 143.9 52.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.06 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -51.78 -51.76 53.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 110.32 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -52.08 55.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -45.8 -61.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -42.33 -46.87 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.97 -54.59 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.404 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.18 -26.61 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.39 69.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mtt -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.63 -28.57 47.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.85 -83.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 4.3 m-80 -36.52 -47.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.93 -177.28 31.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -125.96 135.64 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.53 101.66 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 3.2 t-20 -55.54 118.33 18.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.19 5.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -51.72 -44.5 63.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 8.3 t80 -37.76 136.1 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -152.89 78.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -88.85 35.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER 61.4 176.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.42 148.04 21.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -155.27 88.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.24 122.43 39.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.11 124.37 25.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -176.95 144.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -161.02 169.65 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 123.89 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.01 142.71 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.99 156.95 39.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.68 134.13 7.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.98 25.86 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.797 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' B' ' 10' ' ' PRO . 80.5 m -111.09 143.72 28.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' B' ' 9' ' ' THR . 18.2 Cg_endo -75.03 108.96 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 147.71 52.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.4 m -141.88 167.64 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -141.97 150.71 41.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 58.38 109.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.435 HG12 ' N ' ' B' ' 16' ' ' GLN . 75.9 t -106.13 139.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.435 ' N ' HG12 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -56.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.476 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 45.9 mttt 65.86 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' B' ' 125' ' ' ALA . 58.8 m-85 -156.88 103.66 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 114.69 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -143.2 -163.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . 0.412 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -112.97 164.02 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -118.96 118.56 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -33.63 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.73 -176.17 16.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.426 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -102.37 130.57 49.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.488 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.48 134.31 22.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.488 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.95 136.39 20.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -130.97 -170.42 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.59 -62.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -79.85 146.38 64.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.429 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.03 -19.86 17.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.39 150.98 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 140.78 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -45.19 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.73 67.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -71.45 -43.4 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 tp -65.5 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.65 -52.23 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.29 -50.82 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.7 -70.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.495 ' O ' ' CG ' ' B' ' 45' ' ' MET . 8.9 mt -40.18 -47.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.35 -45.65 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -59.97 -64.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.417 ' HA ' ' CB ' ' B' ' 47' ' ' SER . 57.5 mt -50.65 -50.11 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.8 mmt -36.92 -56.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.2 t -82.01 -33.84 29.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 3.7 t -43.97 -63.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -117.13 -178.16 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -94.37 -176.54 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.531 ' NZ ' ' CZ2' ' B' ' 114' ' ' TRP . 1.0 OUTLIER -78.5 -38.12 41.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -29.79 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -40.27 86.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.517 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.4 m0 -55.79 110.78 2.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.73 38.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -85.46 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.6 m -131.21 174.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 59.0 m-20 -120.69 108.25 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 ttm -82.2 102.93 11.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.413 ' ND2' HD13 ' B' ' 68' ' ' ILE . 4.6 m-20 -80.49 132.88 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 25.0 t -136.98 98.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.96 -157.45 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.6 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.476 ' HB3' ' CG1' ' B' ' 82' ' ' VAL . . . -140.48 66.64 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 97.3 m -158.46 148.35 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.58 96.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.3 m -108.33 151.4 26.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 77' ' ' LEU . 79.9 t -119.86 106.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.413 HD13 ' ND2' ' B' ' 59' ' ' ASN . 2.9 mt -104.33 149.61 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.62 134.23 56.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.406 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.4 OUTLIER -52.75 -52.63 55.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.59 -79.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.83 125.71 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.41 -15.61 32.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.3 27.44 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -127.99 87.99 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.59 151.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' B' ' 67' ' ' VAL . 24.6 mt -121.46 -53.53 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' B' ' 111' ' ' HIS . 2.1 t -143.17 141.74 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -120.61 93.96 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.592 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 9.4 t -98.21 96.48 8.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -76.87 120.13 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' B' ' 63' ' ' ALA . 1.1 t -51.08 -22.53 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -75.81 -41.43 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.594 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 11.4 m-85 -85.19 -29.68 24.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.505 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -44.16 135.72 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' B' ' 31' ' ' PRO . 61.0 p -104.3 -60.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 88' ' ' MET . 13.1 t80 -132.32 158.16 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -166.46 130.9 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.79 -139.35 2.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.6 m -135.67 164.57 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.423 ' CA ' HD12 ' B' ' 41' ' ' ILE . . . -87.8 -94.36 0.97 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -112.06 -37.08 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 142.86 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 4.7 m -76.18 -16.14 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -68.66 -10.65 57.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.655 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 41.6 p -111.7 157.94 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.604 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 53.4 t80 -157.67 115.23 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -116.66 171.07 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.592 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.6 p90 -163.08 143.92 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mt -94.33 142.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' MET . . . . . 0.55 ' CG ' ' HG3' ' B' ' 109' ' ' GLU . 25.2 ptm -145.52 144.64 30.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -90.2 138.9 31.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.524 ' CG2' ' CD ' ' B' ' 109' ' ' GLU . 69.0 p -118.69 -59.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.43 -137.15 9.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' B' ' 106' ' ' GLN . 4.2 m-20 -91.51 93.29 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.616 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 1.1 mt-30 86.99 -25.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -45.33 141.43 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 20.0 m-85 -141.54 132.82 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . 0.55 ' HG3' ' CG ' ' B' ' 101' ' ' MET . 12.6 pt-20 -126.29 131.53 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 52.5 t -101.08 124.19 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.2 m-70 -111.97 109.73 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.55 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 38.6 t -89.71 163.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.1 m-85 -153.94 166.7 32.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.531 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 61.0 t-105 -122.08 111.78 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -110.36 156.01 21.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.289 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 7.6 mt-10 -136.65 135.5 20.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.02 -55.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.982 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -107.67 177.59 4.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -100.85 48.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -84.25 -39.08 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.43 -43.2 27.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.604 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.4 t -62.51 -61.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 26.3 p -52.5 -36.15 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.51 -55.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.572 ' HB3' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.53 -22.12 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 13.5 t -93.6 -50.27 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.54 -36.67 64.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.95 -25.88 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.06 -51.01 43.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.449 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 66.8 m -55.32 -50.0 70.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 38.1 t -48.03 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.96 169.09 40.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 64.9 p -134.62 86.96 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.82 118.57 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.89 144.76 25.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.99 77.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.73 152.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.9 m -64.0 131.47 94.97 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.06 -10.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' HG2' ' CB ' ' B' ' 120' ' ' ALA . 1.0 OUTLIER -98.67 -41.59 7.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.31 -38.08 76.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -28.77 68.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.569 ' CD2' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -72.32 -5.45 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 HD21 ' CD2' ' A' ' 10' ' ' HIS . 13.8 mt -103.26 -41.66 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.4 m -51.05 -21.81 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -87.43 -27.97 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.1 mtt -80.48 -16.24 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -76.52 -19.06 58.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.4 mp0 -119.18 -97.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -40.4 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 58.61 -144.36 43.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.78 129.54 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -114.29 94.56 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -62.98 112.19 6.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -75.06 -173.15 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' PRO . 0.5 OUTLIER 85.02 -39.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 40.7 t80 -57.95 -82.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 178.84 166.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.5 t80 59.85 124.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.87 166.54 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.29 107.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.1 166.55 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtm -150.56 143.34 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -118.05 130.93 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.09 167.59 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -145.68 153.89 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.22 84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -146.86 170.79 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.94 113.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.33 -142.18 7.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.63 18.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.529 1.804 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.3 p -136.4 159.56 70.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 110.38 3.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.1 95.41 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -128.09 124.22 36.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -77.85 155.32 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? 64.27 131.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 72.1 t -139.89 151.72 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -55.37 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttt 68.35 145.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -156.22 93.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.56 100.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -128.07 -163.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -107.68 167.16 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.6 115.14 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.406 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -77.27 -41.38 41.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.94 -174.73 19.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.112 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.8 ttp -102.83 132.34 49.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.489 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.97 134.28 23.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.489 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 14.6 m -139.73 179.32 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -122.83 -50.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -76.13 135.17 70.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.27 20.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.13 -179.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.25 141.05 11.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 30.6 mmm -80.21 -40.33 27.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 0.807 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -34.76 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 16.2 m -85.26 -31.59 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.71 -61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.425 ' N ' ' OD1' ' B' ' 38' ' ' ASN . 0.7 OUTLIER -50.65 -45.86 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -39.61 -46.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.13 -61.66 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.42 HG12 ' CG1' ' B' ' 112' ' ' VAL . 11.3 mt -42.09 -42.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.87 -53.57 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -51.2 -60.36 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' B' ' 45' ' ' MET . 76.4 mt -53.41 -54.81 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.402 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.3 mmt -37.46 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.436 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.2 t -67.79 -53.69 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.436 ' C ' ' O ' ' B' ' 46' ' ' THR . 3.7 m -36.04 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -76.32 -176.55 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.533 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.5 m -105.34 -177.05 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.76 -35.92 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.21 -19.67 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -38.29 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 14.1 m0 -54.63 109.03 1.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.71 42.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.2 p -79.44 132.37 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.35 171.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 91.0 m-20 -120.62 108.7 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.6 ttm -82.28 106.89 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -81.72 130.23 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 36.7 t -131.72 103.21 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.1 -160.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.7 OUTLIER -40.64 -58.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.436 ' CB ' HG13 ' B' ' 82' ' ' VAL . . . -152.68 69.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 16.0 m -160.82 140.89 11.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.3 t -128.61 96.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 91.4 m -112.79 132.08 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' B' ' 77' ' ' LEU . 98.5 t -103.11 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -96.94 152.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -60.63 136.37 58.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.969 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.402 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.68 -56.87 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -63.6 122.2 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -12.39 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -109.51 32.05 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -130.89 89.68 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 p -65.19 152.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' B' ' 67' ' ' VAL . 13.7 mt -122.46 -51.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.47 123.74 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -109.3 93.88 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.45 ' SG ' ' CD1' ' B' ' 85' ' ' LEU . 20.0 t -97.02 99.64 11.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.1 mpt_? -73.75 115.18 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.436 HG13 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.83 -27.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' B' ' 81' ' ' ARG . 24.3 mmt180 -70.2 -46.91 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 11.6 m-85 -75.63 -35.11 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.45 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -42.48 148.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.569 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 77.8 p -122.16 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' B' ' 100' ' ' ILE . 30.8 t80 -122.18 162.74 20.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.85 119.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.85 -161.73 12.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.455 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 1.7 m -121.17 172.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 0.73 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.455 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -106.4 -120.84 4.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.08 140.97 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.471 ' HB ' ' CD1' ' A' ' 11' ' ' LEU . 3.3 m -72.72 -34.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -42.6 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.425 ' N ' ' C ' ' B' ' 94' ' ' VAL . 21.0 p -100.32 139.23 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.601 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 68.9 t80 -134.9 112.86 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -108.54 170.07 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' B' ' 99' ' ' PHE . 5.2 p90 -164.65 144.63 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' B' ' 87' ' ' PHE . 5.3 mt -95.02 133.33 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.8 ptm -133.9 142.89 47.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.56 124.8 29.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 82.0 p -122.02 50.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.75 -146.61 16.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.96 -74.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.593 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 5.1 mt-30 -120.2 3.08 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.42 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 9.7 mpt_? -58.54 145.4 39.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 13.6 m-85 -137.32 127.0 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -115.16 124.01 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.32 121.87 42.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 96.9 m-70 -110.06 163.53 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.568 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.6 t -143.41 154.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 21.2 m-85 -147.31 168.98 20.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 t-105 -124.87 111.89 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -111.71 158.93 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 108.365 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 41.1 mt-10 -134.81 132.86 20.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -55.97 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.004 -2.499 . . . . 0.0 111.0 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.49 ' HB2' ' CD1' ' A' ' 11' ' ' LEU . 50.8 p-10 -106.56 177.89 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' B' ' 97' ' ' PHE . . . -98.9 39.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.414 ' CB ' ' HG2' ' A' ' 7' ' ' GLU . . . -72.37 -65.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -56.76 -19.57 17.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.462 ' O ' ' CG2' ' B' ' 126' ' ' VAL . 2.0 t -87.06 -62.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.601 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 45.9 m -57.65 -31.26 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.2 -58.54 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.47 -22.06 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 21.2 t -93.24 -34.36 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -63.37 -41.7 98.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.23 -20.26 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.17 -57.22 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.426 ' N ' HG22 ' B' ' 82' ' ' VAL . 11.1 m -52.45 -58.17 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 34.4 t -43.41 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.65 168.41 33.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 135.97 19.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.5 96.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.94 80.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.18 -61.61 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.56 97.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.93 152.77 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.404 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 14.7 m -80.73 143.45 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 -52.41 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.64 -50.08 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -52.25 -56.87 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -48.03 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -53.69 -40.32 65.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 8' ' ' GLU . 88.3 mt -80.29 -66.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -38.95 -30.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.9 ttpt -75.57 -68.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 19' ' ' TYR . 2.8 mmt -41.29 -36.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.32 -63.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.1 OUTLIER -94.75 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -44.65 -63.7 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -172.87 51.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 42.3 t80 -146.82 134.27 20.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' CG ' HG11 ' B' ' 32' ' ' VAL . 0.0 OUTLIER -117.69 106.94 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 33.1 t-20 -40.72 102.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.18 5.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.4 t -165.84 -42.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.432 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 10.5 t80 -44.77 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.02 164.42 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -171.94 168.96 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.69 176.32 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.45 143.84 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -119.31 173.97 6.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mtm -145.89 152.39 39.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 57.14 94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 103.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -150.08 139.64 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.52 94.53 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -148.48 122.91 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -136.15 93.44 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.01 130.23 21.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.51 27.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.3 p -52.62 160.12 1.49 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.95 129.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.4 t -97.69 147.45 24.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.02 -178.48 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.78 107.37 18.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.409 HG11 ' N ' ' B' ' 16' ' ' GLN . 76.8 t -104.82 141.57 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.409 ' N ' HG11 ' B' ' 15' ' ' VAL . 0.6 OUTLIER -62.07 -56.24 20.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.435 ' CG ' ' OD1' ' B' ' 59' ' ' ASN . 47.3 mttt 68.59 147.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.459 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 45.6 m-85 -157.99 92.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -64.01 100.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 m -128.41 -164.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -105.35 171.4 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -129.12 102.51 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.521 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.3 OUTLIER -62.26 -40.07 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.41 -170.93 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.475 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.9 ttp -109.29 126.31 53.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.494 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.16 133.46 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.494 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 145.4 31.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.56 -170.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.83 -53.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -87.65 152.45 51.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -75.03 -31.28 6.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . 0.46 HG11 ' CG ' ' A' ' 20' ' ' GLU . 32.6 m -129.2 171.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.82 132.96 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.078 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -82.25 -20.58 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -81.54 -22.77 37.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -85.02 -42.91 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.26 -60.45 3.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -45.78 -47.9 15.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -48.59 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -58.76 -64.86 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' B' ' 40' ' ' ALA . 13.6 mt -40.48 -45.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.2 -48.01 80.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -59.8 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.416 ' HA ' ' CB ' ' B' ' 47' ' ' SER . 41.9 mt -54.1 -51.42 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -36.72 -48.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' SER . 2.4 t -88.0 -36.74 16.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.7 t -38.57 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.1 m -113.85 -176.39 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -94.87 -175.47 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.527 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.1 ttmt -79.65 -37.21 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -28.73 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.04 -43.53 98.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.527 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -52.28 108.64 1.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.59 41.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -84.08 131.94 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.25 169.39 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 92.2 m-20 -115.12 109.77 18.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.1 ttm -82.4 101.01 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.435 ' OD1' ' CG ' ' B' ' 17' ' ' LYS . 5.7 m-20 -76.5 132.84 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' B' ' 125' ' ' ALA . 56.8 t -136.76 98.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.63 -154.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.32 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.458 ' HB1' ' CG1' ' B' ' 82' ' ' VAL . . . -137.11 65.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -156.96 143.63 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 76.6 t -130.72 96.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.402 ' O ' ' N ' ' B' ' 59' ' ' ASN . 40.6 m -107.78 151.62 25.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 77' ' ' LEU . 80.4 t -119.72 100.58 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.42 HD12 ' ND2' ' B' ' 59' ' ' ASN . 4.3 mt -98.87 148.7 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 2.4 t -56.57 133.64 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -46.69 -51.72 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -60.54 120.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.16 -5.06 58.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.06 22.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -119.6 88.32 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.05 147.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' B' ' 67' ' ' VAL . 22.5 mt -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.471 HG21 ' CE1' ' B' ' 111' ' ' HIS . 1.4 t -136.29 137.06 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -117.14 93.99 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 36.9 t -96.99 87.59 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 84' ' ' PHE . 11.8 mmt180 -70.85 112.61 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.458 ' CG1' ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.51 -40.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -51.47 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.606 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 7.6 m-85 -72.48 -38.3 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.48 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.9 OUTLIER -39.95 134.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.488 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -103.71 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 75.3 t80 -135.23 166.08 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.17 138.19 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.99 -152.13 7.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.76 168.65 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -97.61 -112.27 3.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' B' ' 93' ' ' ASP . 5.8 pttp -88.66 -47.77 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 0.5 OUTLIER -106.6 117.38 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 11' ' ' LEU . 35.0 m -44.97 -31.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -47.75 -24.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.465 HG21 ' CE3' ' B' ' 114' ' ' TRP . 65.2 p -102.0 132.38 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -130.5 121.42 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.447 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -118.01 168.49 10.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 5.0 p90 -165.98 142.16 5.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' B' ' 108' ' ' PHE . 3.9 mt -95.42 135.06 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -134.02 148.9 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.38 123.78 32.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 58.2 p -121.58 -58.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . -101.45 -168.43 27.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -57.28 89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 75.7 mt-30 68.64 5.15 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.462 ' HB2' ' CA ' ' B' ' 104' ' ' GLY . 0.0 OUTLIER -62.17 142.63 57.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 11.7 m-85 -128.71 128.16 43.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -119.83 133.8 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 31.2 t -100.27 115.05 29.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 98.6 m-70 -108.43 106.5 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.471 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 41.2 t -90.23 155.07 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.5 m-85 -147.03 151.7 37.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.093 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . 0.465 ' CE3' HG21 ' B' ' 96' ' ' THR . 53.8 t-105 -108.48 112.48 24.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.18 163.46 12.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.341 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' B' ' 117' ' ' PRO . 27.6 mt-10 -139.9 125.06 11.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.44 ' O ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.08 -66.18 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.024 0.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.405 ' CB ' HG22 ' B' ' 94' ' ' VAL . 8.5 p-10 -95.3 -178.3 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -108.84 46.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -77.68 -47.55 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.57 -35.77 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.419 ' O ' ' CG2' ' B' ' 126' ' ' VAL . 2.5 t -64.91 -63.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 18.1 t -58.6 -23.29 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 4.1 tp10 -78.7 -54.01 6.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.459 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.85 -20.11 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' B' ' 122' ' ' VAL . 16.9 t -94.07 -47.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -60.04 -26.97 66.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.48 -21.37 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.2 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.426 ' N ' HG23 ' B' ' 82' ' ' VAL . 2.3 m -50.35 -38.7 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -176.04 -60.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 168.05 44.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 165.63 30.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 60.1 p -75.46 -56.68 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.91 132.96 40.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.58 -68.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.5 89.47 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 5' ' ' THR . 7.1 m -80.72 -143.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' N ' ' CG2' ' A' ' 4' ' ' VAL . 3.0 m -94.35 141.11 23.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -14.95 20.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -97.2 -42.34 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.79 -28.66 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -48.89 37.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -51.34 -22.29 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 mt -92.96 -45.7 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 63.3 m -50.04 -23.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -65.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.9 mtt -50.39 -35.42 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.434 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 5.5 mt-30 -39.43 -59.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -112.49 -61.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -48.09 -24.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.06 -169.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.514 ' CE2' ' HE3' ' B' ' 88' ' ' MET . 79.7 t80 -140.39 143.49 35.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -135.86 96.89 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' CG2' ' A' ' 23' ' ' THR . 44.6 p-10 -60.34 133.47 90.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -74.96 -27.34 10.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.527 ' CG2' ' ND2' ' A' ' 21' ' ' ASN . 1.4 t -37.31 -44.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 6.9 t80 -56.62 -178.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 175.99 -83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 55.22 88.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -142.24 154.31 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 58.2 84.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -176.55 76.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -135.48 -56.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -140.29 -60.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -177.51 155.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.2 168.35 6.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.97 -165.58 14.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -176.25 131.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -114.54 172.36 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.92 149.98 21.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -169.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.5 p -128.45 158.39 71.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.29 29.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.83 131.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -100.91 122.16 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 172.77 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -94.27 123.77 37.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.498 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 39.6 t -129.07 152.95 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -34.42 22.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' B' ' 18' ' ' PHE . 0.1 OUTLIER 62.21 155.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.669 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 38.6 m-85 -162.17 94.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -70.78 113.13 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.74 -165.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -106.84 165.58 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -121.99 110.28 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.71 -30.33 65.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.408 ' N ' HD13 ' B' ' 44' ' ' LEU . . . 121.92 -176.68 16.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -101.33 129.68 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.503 ' CD1' ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.23 134.3 24.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . 0.503 ' HD2' ' CD1' ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 146.93 33.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.81 -159.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.75 -66.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -78.72 150.41 75.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 m -149.06 139.29 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.63 136.09 1.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.83 -50.21 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -13.15 50.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.1 m -84.33 -36.48 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 40' ' ' ALA . 4.8 tp -75.97 -64.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.5 m-80 -40.62 -53.37 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -38.64 -38.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -72.81 -66.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.513 ' O ' ' CG ' ' B' ' 45' ' ' MET . 18.3 mt -41.32 -40.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -69.59 -44.43 70.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -60.95 -61.87 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.413 ' HA ' ' CB ' ' B' ' 47' ' ' SER . 16.6 mt -52.79 -50.37 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.32 -58.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.404 ' O ' ' C ' ' B' ' 47' ' ' SER . 4.4 t -79.19 -34.82 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.5 t -38.96 -68.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 m -116.31 -179.25 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.3 m -90.66 -177.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.56 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.68 -37.3 31.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -18.01 61.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -39.45 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.56 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -54.72 110.34 2.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.8 40.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -86.32 122.58 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.43 173.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -119.99 113.86 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.4 ttm -88.49 99.14 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . 0.403 ' ND2' HD13 ' B' ' 68' ' ' ILE . 7.8 m-20 -75.1 123.93 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' B' ' 18' ' ' PHE . 25.6 t -126.62 105.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.35 -156.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.68 -66.21 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.473 ' CB ' HG11 ' B' ' 82' ' ' VAL . . . -148.3 69.01 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -160.58 138.69 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 55.8 t -126.03 98.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 92.2 m -114.16 136.02 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 69.9 t -100.63 104.51 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' B' ' 75' ' ' GLU . 25.2 mt -98.92 147.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.434 ' N ' HG22 ' B' ' 68' ' ' ILE . 0.3 OUTLIER -64.57 127.34 31.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -58.47 7.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.16 79.03 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 0.7 OUTLIER 164.19 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 0.6 OUTLIER 88.96 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 40.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.438 ' O ' ' CG2' ' B' ' 68' ' ' ILE . 0.7 OUTLIER -145.69 116.64 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.4 t -86.51 143.39 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 32.2 mt -114.73 -53.63 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.52 HG21 ' CE1' ' B' ' 111' ' ' HIS . 1.7 t -137.73 144.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -126.99 94.64 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.594 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 29.0 t -97.81 89.7 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.7 mpt_? -66.12 114.88 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.473 HG11 ' CB ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.4 -27.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' B' ' 81' ' ' ARG . 5.9 mmt85 -72.35 -44.18 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.265 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 14.6 m-30 -78.02 -34.98 50.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.507 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -39.77 143.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 2.8 p -115.23 -62.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' B' ' 88' ' ' MET . 9.5 t80 -132.85 150.64 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' MET . . . . . 0.514 ' HE3' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -157.39 130.99 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.26 -153.44 7.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.472 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 1.4 m -126.11 172.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.472 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -94.28 -100.99 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.97 -31.24 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.04 143.1 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.9 m -80.94 2.71 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 10.7 m80 -86.51 -21.66 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 13.5 p -97.1 158.51 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.637 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 35.8 t80 -157.88 112.88 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.435 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -116.35 162.28 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.594 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.2 p90 -153.15 143.57 22.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.1 mt -95.88 130.26 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.7 ptm -128.29 148.17 50.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.69 125.57 42.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 104' ' ' GLY . 23.2 p -110.97 -58.22 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . 0.409 ' N ' ' OG1' ' B' ' 103' ' ' THR . . . -96.72 -166.21 33.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.58 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -114.75 2.57 14.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -68.19 131.21 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.475 ' N ' ' HD2' ' B' ' 107' ' ' ARG . 11.9 m-85 -122.93 158.29 30.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.41 150.33 48.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 45.4 t -118.99 126.37 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.4 m-70 -120.57 109.59 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.587 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 39.6 t -90.63 164.49 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.587 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 65.3 m-85 -156.31 156.72 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -111.99 114.73 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.7 m -111.83 149.77 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 36.3 mt-10 -132.67 135.37 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.02 -55.81 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.993 0.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.402 ' CB ' HG23 ' B' ' 94' ' ' VAL . 5.0 p30 -107.22 175.08 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.47 42.08 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -82.86 -25.42 32.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -43.27 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.637 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 1.7 t -64.65 -62.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.421 ' O ' ' N ' ' B' ' 127' ' ' GLN . 2.2 p -53.45 -37.26 62.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 12.1 tp10 -63.01 -56.59 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.669 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -54.15 -20.38 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . 0.41 HG22 ' CE2' ' B' ' 97' ' ' PHE . 18.2 t -93.63 -32.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 123' ' ' SER . 3.4 tt0 -70.27 -43.78 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.3 -20.25 57.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.32 -42.03 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.4 ' O ' ' OG ' ' B' ' 131' ' ' SER . 58.1 m -65.54 -48.77 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 130' ' ' CYS . 19.7 m -175.54 86.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.2 -135.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 7.6 t -72.83 95.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 58.6 p -95.53 152.22 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.67 174.32 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.44 62.92 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.4 m -60.78 -168.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 2.4 m -63.03 146.64 95.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.98 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -58.87 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.13 -47.89 61.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -63.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.439 ' NE2' ' OG ' ' B' ' 123' ' ' SER . 8.3 t60 -40.64 -47.91 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.51 -53.74 31.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.19 -25.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASN . 6.3 tttp -74.6 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.442 ' HE2' ' CB ' ' A' ' 19' ' ' TYR . 36.3 mtt -63.77 -9.74 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -69.2 -27.42 65.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' LYS . 1.1 m-20 -70.62 -25.96 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 56.81 -157.48 11.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 88.7 t80 -153.4 136.58 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.74 94.7 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -58.4 126.65 79.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -75.0 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.434 HG21 ' N ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER 70.9 -57.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 10.7 t80 -36.91 -45.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.01 149.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -175.5 160.37 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.088 . . . . 0.0 110.956 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.5 t80 52.92 86.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 138.23 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -58.29 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 mmt -61.49 -55.01 35.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -178.72 153.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.2 119.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -163.19 162.47 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 118.02 0.95 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -161.41 97.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.14 131.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 147.62 22.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.1 10.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.427 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 19.1 p -131.24 141.72 42.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.4 Cg_endo -75.0 167.02 27.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.78 62.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -68.33 139.27 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.01 155.32 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.97 119.04 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.498 ' CG1' ' CB ' ' B' ' 61' ' ' ALA . 10.1 m -58.16 177.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -56.95 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LYS . . . . . 0.491 ' HE3' ' CG2' ' B' ' 15' ' ' VAL . 68.3 mttt 62.85 151.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 87.6 m-85 -157.14 112.67 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 120.7 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.4 m -149.57 -162.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -113.15 170.43 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.76 101.29 6.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -38.01 88.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.39 -170.59 20.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.539 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -105.52 131.69 52.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.467 ' CD2' ' HG ' ' B' ' 44' ' ' LEU . 0.1 OUTLIER -117.52 130.94 24.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.426 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 32.1 m -117.36 -168.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.05 -52.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -93.49 150.52 39.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -74.97 -31.81 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.32 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.42 111.04 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.8 tpt -64.9 -9.69 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.14 -33.8 15.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 1.2 m -78.24 -35.7 47.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.418 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.53 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -42.12 -51.44 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -39.9 -46.59 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -64.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.451 ' O ' ' CG ' ' B' ' 45' ' ' MET . 14.4 mt -43.73 -42.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.57 -47.05 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -58.11 -68.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' B' ' 26' ' ' LEU . 32.9 mt -45.56 -51.57 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.2 mmt -38.11 -48.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.4 ' O ' ' C ' ' B' ' 47' ' ' SER . 2.8 t -88.29 -35.3 17.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.4 t -39.26 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.5 m -112.1 -175.94 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' SER . . . . . 0.483 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.0 m -90.06 -175.96 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -84.57 -34.61 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -21.62 51.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.82 -36.37 78.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . 0.563 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -57.1 111.29 3.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.99 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -80.4 130.45 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.13 173.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -126.94 107.5 10.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttm -82.49 108.41 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -92.84 122.52 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 22.9 t -122.17 109.14 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' B' ' 64' ' ' THR . . . -162.46 166.75 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.87 28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.473 ' CB ' HG13 ' B' ' 82' ' ' VAL . . . 62.6 49.31 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.503 ' N ' ' O ' ' B' ' 61' ' ' ALA . 96.9 m -145.08 129.77 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' B' ' 80' ' ' CYS . 54.4 t -106.83 105.21 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.6 m -116.92 132.29 56.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 89.3 t -100.95 101.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.404 HG22 ' N ' ' B' ' 69' ' ' SER . 16.8 mt -94.42 156.0 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.404 ' N ' HG22 ' B' ' 68' ' ' ILE . 0.4 OUTLIER -66.96 118.49 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 69' ' ' SER . 1.1 tt0 -38.72 -47.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -62.09 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -71.71 125.12 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -7.44 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.17 29.3 7.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -129.57 80.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.52 153.57 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 19.5 mt -125.14 -53.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.476 HG23 ' CE1' ' B' ' 111' ' ' HIS . 1.5 t -135.92 136.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -118.14 93.95 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.603 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 12.2 t -96.79 92.57 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' B' ' 83' ' ' ARG . 9.8 mmt85 -71.52 116.14 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . 0.473 HG13 ' CB ' ' B' ' 63' ' ' ALA . 0.4 OUTLIER -47.15 -24.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 81' ' ' ARG . 15.4 mmt180 -72.71 -43.02 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 12.7 m-85 -80.44 -33.79 36.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' LEU . . . . . 0.507 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.94 153.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 96.8 p -126.98 -59.02 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 31.0 t80 -131.43 161.71 31.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.64 137.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.62 -150.31 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -132.64 167.59 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . 0.431 ' N ' ' CG2' ' B' ' 90' ' ' VAL . . . -94.55 -105.01 1.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.17 -40.69 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.41 ' O ' ' OG1' ' B' ' 96' ' ' THR . 0.5 OUTLIER -96.72 144.09 27.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . 0.419 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.2 m -78.84 -24.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 115' ' ' CYS . 1.4 m80 -62.98 -14.9 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.625 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 93' ' ' ASP . 70.9 p -99.46 152.7 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' PHE . . . . . 0.678 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 31.6 t80 -156.5 113.51 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' B' ' 112' ' ' VAL . . . -116.69 164.92 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.5 p90 -157.43 143.57 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 6.4 mt -94.65 126.76 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -121.92 142.43 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.18 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -83.26 -41.93 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.58 -98.47 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' B' ' 106' ' ' GLN . 2.2 t-20 -64.5 178.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.625 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 39.9 mt-30 -37.44 -48.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' B' ' 106' ' ' GLN . 3.4 mpt_? -33.43 134.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' PHE . . . . . 0.625 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 24.1 m-85 -129.08 155.73 44.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -124.82 137.92 54.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.9 t -113.91 125.0 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 108.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' HIS . . . . . 0.579 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.0 m-70 -113.4 111.28 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.598 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 28.0 t -91.16 162.47 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 41.7 m-85 -152.66 166.65 31.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -125.2 94.9 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . 0.409 ' N ' ' O ' ' B' ' 95' ' ' HIS . 12.8 m -89.06 162.29 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.5 mt-10 -139.57 134.08 16.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -57.03 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.997 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ASN . . . . . 0.419 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.1 p30 -104.86 178.03 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -103.69 40.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' B' ' 124' ' ' GLU . . . -77.04 -48.49 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -69.96 -46.97 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' VAL . . . . . 0.678 ' CG1' ' CD2' ' B' ' 97' ' ' PHE . 2.1 t -56.18 -69.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.439 ' OG ' ' NE2' ' A' ' 10' ' ' HIS . 34.9 p -49.13 -35.35 16.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 21.9 tt0 -66.02 -57.63 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . 0.564 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.83 -22.56 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' VAL . . . . . . . . . . . . . 5.7 t -93.77 -28.1 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' B' ' 124' ' ' GLU . 11.8 tt0 -72.91 -35.62 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.78 -21.73 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.67 -46.4 38.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' CYS . . . . . 0.442 ' HA ' ' CG2' ' B' ' 82' ' ' VAL . 11.3 m -47.99 -48.84 32.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 -55.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.08 168.03 21.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 161.02 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 71.4 p -126.42 147.86 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 11.4 m -131.59 155.92 46.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' B' ' 120' ' ' ALA . 79.6 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.85 -35.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.8 -56.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' GLN . 18.7 mtt -60.68 -46.12 91.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.532 ' CD ' HG12 ' B' ' 94' ' ' VAL . 6.1 mt-30 -42.17 -27.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' MET . 1.8 mp0 -123.43 -86.29 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -40.92 -34.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 -141.46 38.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 61.8 t80 -164.57 131.87 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -51.73 60.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 59.7 mttt 66.9 145.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 62.1 m-85 -153.39 103.09 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.09 119.43 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.539 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.4 m -148.41 -162.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.539 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -113.38 165.16 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -119.48 103.06 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.718 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -63.0 -35.19 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.92 -169.84 20.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.4 ttp -108.19 128.4 54.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.941 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -118.29 133.62 23.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.941 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 147.57 34.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.24 -179.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 -57.53 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 159.06 32.62 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.39 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.91 -177.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.51 133.11 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -45.74 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -19.51 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -80.78 -26.41 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 38' ' ' ASN . 12.7 tp -86.05 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' B' ' 37' ' ' LEU . 91.3 m-20 -40.47 -51.25 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -41.06 -47.56 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.59 -66.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.532 HD13 ' N ' ' B' ' 91' ' ' GLY . 22.3 mt -41.66 -46.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.05 -49.64 73.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -64.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.708 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.7 mt -48.69 -52.35 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.409 ' HE1' ' CH2' ' B' ' 53' ' ' TRP . 2.9 mmt -38.94 -65.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.46 HG23 ' N ' ' B' ' 47' ' ' SER . 5.0 t -68.03 -51.51 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.46 ' N ' HG23 ' B' ' 46' ' ' THR . 0.4 OUTLIER -37.48 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -80.61 174.16 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.403 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 32.0 m -95.03 175.2 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.39 -40.69 57.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -24.09 57.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -63.8 -39.36 94.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.4 m0 -55.89 111.51 3.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -89.34 132.83 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.84 -178.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 71.3 m-20 -130.72 108.56 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttm -82.44 104.61 12.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.78 127.87 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.544 HG11 ' O ' ' B' ' 125' ' ' ALA . 24.4 t -131.34 105.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.89 -157.92 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -41.34 -57.84 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.983 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -155.07 66.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.459 HG23 ' HD2' ' B' ' 81' ' ' ARG . 91.2 m -158.23 133.95 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 80' ' ' CYS . 79.2 t -120.97 101.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -115.75 144.88 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.555 HG12 HD12 ' B' ' 77' ' ' LEU . 75.9 t -111.45 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.577 HG21 ' O ' ' B' ' 73' ' ' GLU . 16.4 mt -100.21 145.47 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.652 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.2 t -52.54 147.47 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.66 -53.66 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -75.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 69' ' ' SER . 18.5 m-20 -68.23 155.6 39.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.577 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.4 tp10 -112.02 -26.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -99.68 32.31 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -126.75 85.52 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.455 ' O ' HD23 ' B' ' 77' ' ' LEU . 6.3 p -63.57 153.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.9 mt -122.79 -50.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.91 125.95 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -105.94 93.73 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.828 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.4 t -102.17 98.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 6.5 mmm180 -78.27 124.33 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.983 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.82 -27.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' B' ' 81' ' ' ARG . 17.6 mmt180 -74.19 -43.53 56.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.461 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 10.2 m-85 -74.29 -41.23 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.828 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -40.74 142.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 5.9 p -116.23 -58.84 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.669 ' HB3' HD12 ' B' ' 100' ' ' ILE . 29.2 t80 -128.83 156.84 43.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.707 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -166.62 137.8 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.9 -152.01 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.501 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -131.7 168.72 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.532 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -92.17 -125.12 3.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -89.31 -15.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -122.73 131.67 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.532 HG12 ' CD ' ' A' ' 15' ' ' GLN . 10.4 m -67.57 -14.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 4.2 m80 -70.83 -12.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.0 p -105.01 158.76 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.603 ' CE2' HG21 ' B' ' 126' ' ' VAL . 61.8 t80 -158.11 114.65 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.835 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -119.11 160.89 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.0 p90 -155.53 143.35 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.8 mt -94.71 141.58 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -140.32 143.0 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.494 0.188 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.46 146.78 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.536 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 11.6 t -119.04 137.44 53.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.6 m-70 -122.76 114.48 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.835 HG22 ' HB2' ' B' ' 98' ' ' ALA . 46.0 t -93.98 164.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 55.6 m-85 -155.54 163.15 40.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -120.19 105.75 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.501 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.2 m -95.92 161.87 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.47 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.8 OUTLIER -141.13 129.96 12.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -62.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.025 0.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.405 ' CB ' HG23 ' B' ' 94' ' ' VAL . 37.4 p30 -96.45 176.57 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 94' ' ' VAL . . . -105.02 44.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.764 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -80.13 -48.58 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.29 -49.38 67.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.853 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -54.13 -70.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.595 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 25.5 m -48.68 -33.84 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 22.9 tt0 -67.6 -51.36 51.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -60.49 -18.01 48.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 122' ' ' VAL . 11.3 t -93.45 -51.56 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.408 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.81 -43.53 77.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 130' ' ' CYS . . . -58.16 -56.96 15.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 98.9 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' B' ' 120' ' ' ALA . 11.1 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -39.56 -30.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 11.5 tttt -65.7 -60.76 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.533 ' O ' ' HE1' ' B' ' 34' ' ' MET . 10.7 mtt -67.25 -26.06 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HA ' HG22 ' B' ' 90' ' ' VAL . 4.4 mt-30 -45.69 -42.31 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -129.6 -42.25 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 1.5 t-20 -72.17 -10.98 60.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 40.09 -161.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 59.9 t80 -147.38 130.98 16.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.642 HG12 ' H ' ' B' ' 16' ' ' GLN . 5.5 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.642 ' H ' HG12 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -96.38 -39.21 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 152.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 54.8 m-85 -158.69 94.52 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -69.5 102.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.435 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.9 m -129.07 -168.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -103.01 167.29 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.37 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.614 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -69.97 -38.76 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.73 -173.24 20.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.525 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.2 ttp -104.94 126.16 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.998 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.25 134.75 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.998 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.0 Cg_endo -75.09 139.82 24.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.1 m -127.64 -178.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.69 -49.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -95.29 147.7 33.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.12 6.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.55 160.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.21 133.62 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.533 ' HE1' ' O ' ' A' ' 14' ' ' MET . 96.7 mmm -76.8 -38.31 54.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.37 -34.31 4.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 37.7 m -87.44 -47.14 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -63.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.441 ' HA ' HD12 ' B' ' 41' ' ' ILE . 0.9 OUTLIER -45.04 -46.91 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -41.79 -46.67 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -54.94 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' B' ' 45' ' ' MET . 46.2 mt -50.28 -49.5 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.49 -36.0 82.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -68.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' B' ' 26' ' ' LEU . 35.8 mt -49.82 -46.42 51.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.1 mmt -37.03 -48.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -95.66 -37.05 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -46.11 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 p -123.61 176.71 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -96.01 172.39 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.577 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.19 -39.51 60.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.47 -20.96 59.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.83 -44.98 68.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -49.22 109.68 1.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.94 40.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -84.83 131.56 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 m -135.97 167.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 86.3 m-20 -115.08 111.46 21.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ttm -86.35 104.99 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -79.8 127.84 32.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.558 HG11 ' O ' ' B' ' 125' ' ' ALA . 23.6 t -131.45 106.33 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.95 -153.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -39.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.896 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -147.53 67.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 81.6 m -158.58 138.42 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.424 HG21 HG13 ' B' ' 126' ' ' VAL . 73.5 t -125.6 100.12 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -111.94 142.83 43.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -111.25 102.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.616 HG23 ' O ' ' B' ' 75' ' ' GLU . 18.6 mt -101.48 148.16 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.603 ' HA ' HD11 ' B' ' 77' ' ' LEU . 3.6 t -57.74 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.424 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.3 OUTLIER -49.83 -55.53 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -77.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 83.5 m-20 -69.87 115.97 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -7.81 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -109.35 14.36 23.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.616 ' O ' HG23 ' B' ' 68' ' ' ILE . 3.9 tt0 -110.28 104.1 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.5 144.22 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' B' ' 69' ' ' SER . 19.4 mt -118.56 -57.03 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.54 137.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -119.1 94.66 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 7.3 t -100.14 92.29 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 -73.42 116.87 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.896 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.12 -36.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -50.14 72.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' B' ' 85' ' ' LEU . 5.8 m-85 -70.54 -36.16 73.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.557 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -39.63 152.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 p -125.57 -46.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 26.5 t80 -146.46 156.3 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.639 ' HE2' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -167.29 130.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.78 -152.42 6.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.501 ' O ' ' CE ' ' B' ' 34' ' ' MET . 0.9 OUTLIER -133.75 160.34 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.414 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -83.07 -117.6 0.59 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -90.99 -30.87 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.82 139.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' B' ' 96' ' ' THR . 9.1 m -70.42 -36.55 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -42.75 -28.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.426 ' N ' ' C ' ' B' ' 94' ' ' VAL . 61.0 p -96.51 155.3 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.674 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 34.7 t80 -157.95 116.68 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.844 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -117.8 164.56 14.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.607 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.4 p90 -155.95 143.01 19.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -95.06 134.35 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptm -128.95 145.2 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.539 0.209 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.77 140.35 46.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.591 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 41.0 t -111.92 135.13 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.2 m-70 -123.23 113.58 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.844 HG22 ' HB2' ' B' ' 98' ' ' ALA . 36.4 t -91.98 161.96 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.9 m-85 -152.09 159.8 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 12.1 t-105 -116.46 105.35 12.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.553 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.3 m -104.05 151.4 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -132.4 136.99 28.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.96 -54.27 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.997 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -110.3 168.84 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.82 31.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.616 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -68.1 -41.56 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.19 -42.4 46.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.984 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.3 t -63.68 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.0 p -52.62 -37.48 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.0 -55.59 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -52.77 -22.2 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.984 HG23 ' O ' ' B' ' 122' ' ' VAL . 16.3 t -93.48 -36.38 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.57 -48.06 70.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.98 66.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.64 -53.78 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.728 ' SG ' HG22 ' B' ' 82' ' ' VAL . 19.9 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' B' ' 94' ' ' VAL . 20.9 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 m -45.8 -55.16 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -41.79 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.459 ' O ' ' HE2' ' B' ' 34' ' ' MET . 5.0 mtt -81.74 -44.94 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' HA ' HG22 ' B' ' 90' ' ' VAL . 2.0 mt-30 -40.31 -53.59 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 1.5 pp0? -111.57 163.07 14.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.82 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . 94.42 164.54 35.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -105.54 134.39 48.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' B' ' 61' ' ' ALA . 40.7 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -56.96 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 63.71 149.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.833 ' O ' HG13 ' B' ' 20' ' ' VAL . 68.0 m-85 -157.23 92.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.475 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 1.1 tmm_? -60.93 97.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.833 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.0 m -123.26 -162.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.571 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.2 mt-30 -112.74 171.15 7.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.3 113.42 18.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.559 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -74.13 -34.77 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.52 -177.75 17.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -102.04 127.13 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.16 134.01 22.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 151.4 39.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.9 m -139.76 -175.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -123.8 -50.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -95.35 150.36 37.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.91 9.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.67 139.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' B' ' 36' ' ' THR . . . 155.93 102.32 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' A' ' 14' ' ' MET . 3.6 tpt -45.95 -34.52 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.17 -39.29 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 9.0 m -74.27 -28.32 61.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -71.49 -66.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.73 -45.61 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 t -40.25 -48.18 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.59 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -42.02 -53.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 46' ' ' THR . 24.5 mt-10 -58.84 -38.13 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.7 OUTLIER -66.4 -71.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.732 ' HG ' HD23 ' B' ' 26' ' ' LEU . 29.1 mt -43.85 -39.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.435 ' HE1' ' CH2' ' B' ' 53' ' ' TRP . 3.7 mmt -50.87 -43.32 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.407 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.8 t -99.95 -8.09 24.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.437 ' N ' ' O ' ' B' ' 43' ' ' ASN . 0.0 OUTLIER -93.26 11.33 28.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m 179.59 152.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -83.66 173.6 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.83 -33.23 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.47 -1.74 57.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -5.59 48.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.595 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -91.42 112.92 56.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 154.2 41.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -81.15 141.78 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -143.07 177.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -124.24 108.94 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.3 ttm -84.02 99.04 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' B' ' 66' ' ' THR . 12.4 m-20 -77.8 126.6 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.464 HG11 ' O ' ' B' ' 125' ' ' ALA . 34.7 t -131.37 103.15 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -108.31 -148.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -36.49 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.874 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -135.22 66.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 54.9 m -157.17 146.38 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.475 HG21 HG13 ' B' ' 126' ' ' VAL . 42.0 t -132.88 98.43 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 59' ' ' ASN . 98.4 m -109.06 142.3 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.01 92.66 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.409 HG23 ' C ' ' B' ' 75' ' ' GLU . 9.6 mt -90.15 148.61 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.762 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.2 OUTLIER -57.05 148.45 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.475 ' OE2' ' CD ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -67.75 -56.26 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.16 56.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 6.5 m-20 163.94 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.5 -4.09 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 2.08 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.409 ' C ' HG23 ' B' ' 68' ' ' ILE . 24.2 tt0 -98.05 92.23 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -76.28 141.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' B' ' 69' ' ' SER . 22.2 mt -111.97 -52.6 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.37 144.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -124.21 94.38 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' B' ' 85' ' ' LEU . 8.6 t -96.2 97.45 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' B' ' 84' ' ' PHE . 13.1 mmt180 -78.46 118.8 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.874 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -48.09 -26.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -73.8 -36.88 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.9 m-85 -84.87 -34.1 22.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -43.45 150.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -130.58 -52.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.416 ' HB3' HD12 ' B' ' 100' ' ' ILE . 9.2 t80 -130.08 144.75 51.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.616 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -161.26 127.68 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.99 -150.23 6.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 15' ' ' GLN . 1.7 m -130.15 161.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.41 -120.51 1.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.58 -19.68 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.4 138.73 53.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.717 ' HB ' HD13 ' A' ' 11' ' ' LEU . 20.3 m -75.98 -2.34 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 1.0 OUTLIER -85.54 -11.15 54.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.6 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 72.8 p -114.2 124.55 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' B' ' 126' ' ' VAL . 18.7 t80 -121.02 114.79 22.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.659 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -114.45 150.74 34.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.592 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 8.0 p90 -146.48 142.11 27.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.2 mt -95.92 123.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptm -118.21 138.74 52.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.537 0.208 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.87 130.21 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.417 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 48.2 t -96.67 121.33 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.4 m-70 -115.33 106.94 14.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' B' ' 98' ' ' ALA . 25.1 t -90.45 165.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.4 m-85 -156.58 161.44 39.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -113.01 109.64 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -102.05 147.88 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 37.4 mt-10 -131.33 129.99 22.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.621 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -75.06 -58.02 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.031 0.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -104.82 -177.23 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -106.22 55.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.57 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -87.41 -47.3 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -70.84 -50.7 32.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.669 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.9 t -54.05 -71.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.483 ' N ' HG12 ' B' ' 122' ' ' VAL . 60.7 p -38.75 -50.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 127' ' ' GLN . 17.8 tt0 -60.73 -58.17 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.464 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -43.06 -28.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 122' ' ' VAL . 4.4 t -93.25 -40.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' B' ' 124' ' ' GLU . 39.5 tt0 -61.75 -31.69 71.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.34 -20.11 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.5 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' B' ' 82' ' ' VAL . 6.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.332 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' B' ' 120' ' ' ALA . 17.2 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 11.1 t -38.44 -44.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -63.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.72 -38.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG2' HG22 ' B' ' 90' ' ' VAL . 22.9 mt-30 -61.29 -56.49 19.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 12' ' ' SER . 2.1 mp0 -77.72 -95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -40.51 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.14 -179.4 23.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 53.5 t80 -123.07 129.49 51.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -53.05 34.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.584 ' O ' HG13 ' B' ' 20' ' ' VAL . 42.3 m-85 -156.98 93.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.62 99.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.584 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.9 m -126.63 -162.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.415 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -107.51 167.1 10.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.48 101.57 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.732 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -61.48 -40.78 95.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.408 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 129.81 -177.76 17.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.462 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -100.18 131.3 46.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.05 134.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 127.98 11.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 m -114.1 179.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.65 -56.64 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 157.19 34.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.504 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.3 Cg_endo -75.03 -12.24 21.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.81 177.08 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 120.63 3.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -64.48 -32.43 74.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 111.036 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -21.37 60.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.2 m -82.31 -31.16 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 tp -73.02 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.7 m-80 -42.88 -53.54 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -38.95 -44.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -58.96 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.554 HD13 ' N ' ' B' ' 91' ' ' GLY . 12.0 mt -50.33 -46.5 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.49 -39.21 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.551 ' CG ' HD11 ' B' ' 26' ' ' LEU . 1.2 t30 -62.54 -70.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' B' ' 23' ' ' LEU . 52.6 mt -45.99 -48.98 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.409 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.2 OUTLIER -37.7 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -82.57 -44.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.66 160.33 14.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.454 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 61.3 m -90.06 178.92 6.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.6 OUTLIER -74.75 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -33.47 70.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -44.64 79.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.8 m0 -53.8 109.44 1.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.018 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.03 37.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -84.07 130.2 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.18 164.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 95.3 m-20 -110.79 109.83 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.8 ttm -83.56 108.27 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.85 132.5 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.479 HG11 ' HB1' ' B' ' 125' ' ' ALA . 53.1 t -135.16 102.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.3 -168.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 61' ' ' ALA . 19.2 t0 -36.77 -56.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.861 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -152.33 69.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 44.9 m -159.83 141.98 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.434 HG21 HG13 ' B' ' 126' ' ' VAL . 53.5 t -131.09 96.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 78' ' ' VAL . 57.7 m -111.98 147.9 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.602 HG12 HD12 ' B' ' 77' ' ' LEU . 89.1 t -114.34 100.81 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.4 mt -98.76 147.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.464 ' HA ' HD11 ' B' ' 77' ' ' LEU . 5.1 t -57.9 132.77 54.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER -46.33 -51.25 15.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -48.64 134.56 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -96.55 -5.7 38.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.91 18.93 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -112.8 88.98 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.453 ' O ' HD23 ' B' ' 77' ' ' LEU . 7.3 p -68.64 152.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.602 HD12 HG12 ' B' ' 67' ' ' VAL . 19.6 mt -122.15 -53.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 2.2 t -141.81 142.03 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.58 94.34 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.675 ' SG ' HD12 ' B' ' 85' ' ' LEU . 13.3 t -95.33 94.33 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.3 mpt_? -68.25 113.83 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.861 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.6 -27.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.8 OUTLIER -71.79 -44.3 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 9.2 m-30 -78.82 -35.23 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.675 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -40.02 135.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -105.3 -61.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 54.2 t80 -130.92 160.95 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.892 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.6 137.08 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.33 -146.09 5.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 15' ' ' GLN . 1.6 m -131.3 168.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.554 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -92.37 -95.83 1.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -111.12 -32.07 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.68 -29.62 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -52.71 -22.18 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.572 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 22.0 p -98.1 157.94 15.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.528 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.8 t80 -158.41 113.34 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.764 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -115.82 165.16 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.2 p90 -159.26 144.31 15.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.504 HG21 ' HA ' ' B' ' 31' ' ' PRO . 4.3 mt -97.46 139.53 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -139.07 145.12 39.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 108' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.491 0.186 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.37 131.15 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 49.4 t -104.11 114.71 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.2 m-70 -110.52 108.12 17.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.608 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.764 HG22 ' HB2' ' B' ' 98' ' ' ALA . 41.8 t -90.38 162.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 43.5 m-85 -152.0 169.28 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -127.55 108.3 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.796 ' SG ' HG21 ' B' ' 122' ' ' VAL . 21.9 m -103.06 157.19 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -136.1 132.82 19.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -58.69 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.013 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -103.77 176.93 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -98.27 30.18 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -65.56 -45.54 82.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -73.76 -46.9 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.854 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.4 t -60.54 -59.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 119' ' ' ALA . 54.6 p -52.54 -39.51 61.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' B' ' 126' ' ' VAL . 7.2 tp10 -68.15 -59.4 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.479 ' HB1' HG11 ' B' ' 60' ' ' VAL . . . -44.18 -27.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.892 HG12 ' HE1' ' B' ' 88' ' ' MET . 11.9 t -93.2 -41.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -56.76 -31.71 64.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.404 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -86.61 -42.22 13.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 62' ' ' ASP . . . -49.61 -40.47 39.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.692 ' SG ' HG22 ' B' ' 82' ' ' VAL . 65.2 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.902 HD11 ' HB2' ' B' ' 120' ' ' ALA . 59.7 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -38.87 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.44 -60.49 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.3 mtt -53.48 -23.38 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -66.31 -25.98 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -120.84 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.77 -179.34 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 57.1 t80 -123.51 133.03 54.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.517 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 21.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.407 ' C ' ' HE3' ' B' ' 17' ' ' LYS . 0.1 OUTLIER -81.1 -44.47 17.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.517 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 67.68 148.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 52.1 m-85 -155.07 104.65 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 116.16 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.559 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.2 m -144.95 -162.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.559 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -113.84 167.42 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -122.28 113.72 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.505 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -74.87 -35.07 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.21 177.95 15.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' B' ' 111' ' ' HIS . 4.0 tmm? -91.48 138.58 31.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.752 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.955 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -126.06 133.55 25.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.955 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.98 128.3 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.13 -172.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 -52.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -91.26 147.17 34.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.21 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.56 168.16 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.26 141.78 7.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 82.6 mmm -81.35 -42.23 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.92 -22.03 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -89.71 -45.03 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.51 -63.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -50.64 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -40.63 -54.45 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.71 -59.89 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.581 HD13 ' N ' ' B' ' 91' ' ' GLY . 4.9 mt -47.04 -52.85 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.401 ' O ' HG22 ' B' ' 46' ' ' THR . 3.7 mt-10 -60.25 -33.45 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -70.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.633 ' HG ' HD23 ' B' ' 26' ' ' LEU . 14.6 mt -47.51 -43.1 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.8 mmt -41.65 -60.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.401 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.2 t -79.47 -32.43 42.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -44.23 -65.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -114.41 -177.4 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.5 m -94.06 -178.99 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.73 -35.93 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.3 -30.68 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -59.34 -41.04 88.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -55.88 109.63 1.77 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.17 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -86.73 134.24 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.14 -178.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.4 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 35.1 m-20 -133.52 108.92 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.415 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 25.6 ttm -82.67 99.04 9.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.616 ' OD1' HD12 ' B' ' 68' ' ' ILE . 3.9 m120 -76.29 120.36 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.415 ' CG2' ' HG2' ' B' ' 58' ' ' MET . 24.4 t -125.03 109.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.45 -150.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.59 -67.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 1.006 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -150.15 67.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 74.1 m -158.74 142.83 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 80' ' ' CYS . 39.9 t -128.71 101.19 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.2 m -114.15 133.55 55.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.557 HG12 HD12 ' B' ' 77' ' ' LEU . 77.9 t -100.23 101.42 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.616 HD12 ' OD1' ' B' ' 59' ' ' ASN . 32.5 mt -99.33 148.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.634 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.4 t -59.15 134.15 56.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.4 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.61 -55.0 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -71.6 122.59 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.496 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.4 tt0 -88.41 -13.87 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -104.07 32.06 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.51 87.88 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.41 ' O ' HD23 ' B' ' 77' ' ' LEU . 2.8 p -61.91 151.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.634 HD11 ' HA ' ' B' ' 69' ' ' SER . 12.5 mt -121.04 -50.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.33 138.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.424 ' O ' ' CE ' ' B' ' 101' ' ' MET . 8.4 tt0 -118.66 94.4 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.656 ' SG ' HD12 ' B' ' 85' ' ' LEU . 10.5 t -95.96 87.67 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 21.8 mmt180 -66.27 116.22 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 1.006 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.92 -34.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -66.19 -45.17 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' B' ' 81' ' ' ARG . 14.8 m-85 -75.34 -36.83 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.656 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.61 140.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.0 p -112.93 -56.42 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 48.7 t80 -136.03 153.94 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.532 ' HE2' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -160.76 127.08 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.12 -156.91 9.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.521 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.8 m -123.74 167.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.581 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -93.61 -97.88 1.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -108.22 -30.52 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.461 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -106.51 152.61 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.2 m -84.6 -25.72 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.461 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 1.7 m80 -64.1 -12.42 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 33.1 p -104.93 144.09 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.666 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.7 t80 -148.54 113.7 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -112.8 170.54 8.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.599 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.8 p90 -163.8 143.03 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.2 mt -95.4 134.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 25.8 ptm -132.78 139.35 47.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.49 0.186 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -118.02 146.75 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.423 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 11.9 t -118.37 129.72 55.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.579 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.0 m-70 -119.36 110.78 17.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' B' ' 98' ' ' ALA . 21.5 t -90.06 164.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.0 m-85 -154.26 166.55 32.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' TRP . . . . . 0.568 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 16.3 t-105 -125.0 93.45 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' B' ' 122' ' ' VAL . 26.4 m -83.95 160.65 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.8 mt-10 -141.67 131.32 12.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -74.97 -60.84 0.06 OUTLIER 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.991 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.438 ' CB ' HG23 ' B' ' 94' ' ' VAL . 14.1 p-10 -103.35 170.32 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.47 28.47 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.902 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -60.94 -42.15 97.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' B' ' 124' ' ' GLU . 2.0 m120 -77.55 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.886 ' O ' HG23 ' B' ' 126' ' ' VAL . 1.7 t -41.47 -54.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.8 p -58.17 -38.32 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 121' ' ' ASN . 21.5 tt0 -69.62 -62.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -41.96 -28.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 122' ' ' VAL . 21.3 t -92.11 -42.83 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 124' ' ' GLU . 51.4 tt0 -57.22 -37.15 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.24 -26.96 32.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 126' ' ' VAL . . . -53.35 -58.83 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' B' ' 82' ' ' VAL . 87.0 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' B' ' 120' ' ' ALA . 89.2 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -46.76 -42.32 16.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -62.61 -38.99 92.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.44 ' HE1' ' CB ' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -80.36 -9.64 59.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' B' ' 90' ' ' VAL . 1.5 mt-30 -80.11 -20.62 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 -51.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.58 -21.56 65.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 43.88 -169.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 85.0 t80 -138.26 137.61 37.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CG ' HG11 ' B' ' 32' ' ' VAL . 4.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.96 HG22 ' HB2' ' B' ' 61' ' ' ALA . 24.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -39.13 22.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.516 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 64.5 149.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' B' ' 17' ' ' LYS . 52.3 m-85 -162.14 93.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' B' ' 70' ' ' GLU . 1.7 tmm_? -70.55 102.43 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 21' ' ' GLN . 3.3 m -126.3 -164.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.407 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 tt0 -106.52 170.72 7.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.11 112.12 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.55 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -75.51 -33.62 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.507 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 125.91 -175.09 17.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.529 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -103.79 127.45 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.98 133.93 22.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.94 137.06 21.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 17.3 m -126.2 -174.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -54.6 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -89.66 151.6 45.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.8 8.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.492 HG11 ' CG ' ' A' ' 20' ' ' GLU . 25.9 m -129.91 159.9 41.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.74 134.01 3.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mmm -77.44 -41.6 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -26.22 9.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 18.8 m -90.05 -33.93 16.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.75 -60.3 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.422 ' HA ' HD12 ' B' ' 41' ' ' ILE . 2.1 m-80 -49.7 -53.61 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.53 -49.86 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.64 19.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' B' ' 38' ' ' ASN . 27.2 mt -49.08 -46.59 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.444 ' O ' HG22 ' B' ' 46' ' ' THR . 5.5 mt-10 -62.85 -46.85 85.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -65.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.704 ' HG ' HD23 ' B' ' 26' ' ' LEU . 25.5 mt -49.63 -53.5 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.539 ' CE ' HG21 ' B' ' 96' ' ' THR . 3.6 mmt -37.28 -66.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.492 HG23 ' N ' ' B' ' 47' ' ' SER . 5.5 t -69.25 -53.24 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.492 ' N ' HG23 ' B' ' 46' ' ' THR . 2.4 m -36.91 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 45' ' ' MET . 69.1 m -91.46 164.66 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 51.4 m -88.16 176.85 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.82 -36.74 42.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.66 -25.36 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -36.41 84.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -55.67 110.69 2.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.01 41.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -79.94 128.77 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.17 168.72 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 99.6 m-20 -115.15 112.12 22.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.486 ' SD ' HG13 ' B' ' 65' ' ' VAL . 15.2 tpp -88.85 101.64 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -78.83 132.31 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 37.7 t -134.7 102.4 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.96 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -102.69 -154.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 36.2 t0 -39.23 -71.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 1.045 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -143.37 67.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.533 HG23 ' HD3' ' B' ' 81' ' ' ARG . 87.3 m -157.8 146.07 19.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.599 HG21 HG13 ' B' ' 126' ' ' VAL . 37.9 t -133.11 102.86 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.6 m -114.17 146.19 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.588 HG12 HD12 ' B' ' 77' ' ' LEU . 71.4 t -115.36 97.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.446 HG21 ' O ' ' B' ' 73' ' ' GLU . 11.8 mt -98.26 147.4 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.654 ' HA ' HD11 ' B' ' 77' ' ' LEU . 4.6 t -56.46 128.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.956 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' B' ' 19' ' ' ARG . 0.4 OUTLIER -42.92 -52.31 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.82 120.29 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.446 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.0 OUTLIER -85.7 -13.18 49.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -106.9 18.86 21.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.01 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.543 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.0 p -64.65 155.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' B' ' 69' ' ' SER . 11.2 mt -126.29 -52.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.13 131.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.227 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -114.13 94.02 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.798 ' SG ' HD12 ' B' ' 85' ' ' LEU . 6.7 t -96.45 98.46 10.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.533 ' HD3' HG23 ' B' ' 64' ' ' THR . 18.1 mmt85 -77.48 118.72 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 1.045 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -46.75 -27.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -74.04 -39.18 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.0 m-85 -81.33 -37.93 27.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.798 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.41 152.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 33.9 p -129.08 -55.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' B' ' 100' ' ' ILE . 12.5 t80 -127.03 151.91 47.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.586 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -163.62 119.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.86 -158.77 9.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.569 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -124.55 170.66 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.569 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -96.65 -121.56 4.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -81.87 -30.62 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.02 139.42 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.49 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -44.98 -29.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.72 HG22 ' CE3' ' B' ' 114' ' ' TRP . 71.9 p -100.94 139.66 36.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.583 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 15.7 t80 -139.12 119.12 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.752 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -119.66 168.22 11.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.5 p90 -160.61 145.55 14.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' B' ' 87' ' ' PHE . 3.7 mt -95.9 124.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -121.73 143.62 49.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.501 0.191 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -128.33 128.64 44.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.06 118.81 36.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 90.4 m-70 -113.56 110.39 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.752 HG22 ' HB2' ' B' ' 98' ' ' ALA . 33.6 t -90.78 160.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 64.8 m-85 -153.85 148.63 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' TRP . . . . . 0.72 ' CE3' HG22 ' B' ' 96' ' ' THR . 65.3 t-105 -101.93 117.73 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.569 ' SG ' HG21 ' B' ' 122' ' ' VAL . 56.6 m -107.1 151.65 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.0 mt-10 -134.25 128.62 19.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -57.88 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.974 0.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -103.77 172.11 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -96.91 40.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -73.78 -63.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.57 -36.53 74.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -67.13 -66.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.414 ' N ' HG12 ' B' ' 122' ' ' VAL . 77.8 p -48.82 -40.05 27.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.934 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -70.25 -54.2 13.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.6 -26.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 122' ' ' VAL . 13.3 t -93.57 -50.79 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.417 ' NE2' ' HE3' ' A' ' 13' ' ' LYS . 2.4 tt0 -54.84 -30.07 56.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.43 -27.17 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.21 86.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' B' ' 82' ' ' VAL . 7.7 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' B' ' 120' ' ' ALA . 83.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -39.56 -52.19 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.049 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -48.34 -51.67 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.2 mtt -60.02 -49.01 79.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -44.04 -33.35 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -111.64 -92.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.7 m120 -33.65 -63.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.67 -175.01 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 43.3 t80 -127.32 132.48 50.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -56.78 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 69.38 148.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.723 ' O ' HG13 ' B' ' 20' ' ' VAL . 43.2 m-85 -157.3 92.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.07 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.723 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.6 m -127.52 -162.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.429 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.1 tt0 -107.75 171.5 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.448 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.5 t80 -127.42 99.29 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.617 HD22 HG11 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -62.5 -44.88 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.38 -172.91 21.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 5.7 ttp -107.78 136.23 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -122.38 133.45 24.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 143.25 28.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.68 -168.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -48.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.82 150.03 36.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.77 11.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.53 142.49 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.31 115.55 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.91 -29.58 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -28.04 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -72.23 -57.19 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -60.33 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -49.36 -50.02 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -49.7 4.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.42 -65.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.617 HG12 HG13 ' B' ' 112' ' ' VAL . 19.8 mt -44.43 -47.42 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.26 -36.86 73.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.475 ' CG ' HD11 ' B' ' 26' ' ' LEU . 1.0 OUTLIER -67.51 -67.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.661 ' HG ' HD23 ' B' ' 26' ' ' LEU . 10.5 mt -49.84 -47.08 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -36.81 -44.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -98.94 -38.24 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.92 -45.7 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -128.75 161.52 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -79.71 176.83 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.624 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -73.28 -43.03 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.27 -38.5 71.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -36.21 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.624 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 20.8 m0 -60.27 111.15 3.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 107.973 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.97 169.97 21.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.401 ' C ' HG13 ' B' ' 56' ' ' VAL . 2.4 t -95.63 149.77 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.401 HG13 ' C ' ' B' ' 55' ' ' SER . 28.4 m -152.3 169.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 82.6 m-20 -113.61 107.29 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' HG13 ' B' ' 65' ' ' VAL . 18.4 tpp -82.52 103.56 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -77.58 129.79 36.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.482 HG11 ' O ' ' B' ' 125' ' ' ALA . 69.5 t -132.12 99.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -101.27 -161.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' B' ' 61' ' ' ALA . 60.6 t0 -36.96 -66.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.962 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -145.75 68.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 89.0 m -158.78 146.01 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.633 HG21 HG13 ' B' ' 126' ' ' VAL . 42.6 t -133.55 97.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -112.46 138.76 48.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.488 HG12 HD12 ' B' ' 77' ' ' LEU . 73.0 t -107.49 97.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 10.6 mt -92.96 148.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.747 ' HA ' HD11 ' B' ' 77' ' ' LEU . 3.6 t -56.85 138.26 53.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -50.07 -61.22 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.38 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -53.27 132.58 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -97.24 -18.62 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -105.79 40.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -139.53 85.04 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.479 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.7 p -61.56 154.45 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.747 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.4 mt -122.98 -52.44 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -140.01 131.1 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -113.45 93.81 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.8 t -96.8 91.05 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' B' ' 84' ' ' PHE . 14.8 mmt180 -70.32 114.46 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.962 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -41.02 -37.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -47.91 80.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 81' ' ' ARG . 22.4 m-85 -71.02 -39.36 72.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.74 144.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 14.6 p -115.3 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' B' ' 88' ' ' MET . 4.9 t80 -142.28 156.69 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.624 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -160.9 135.85 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.8 -156.18 9.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.424 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -122.5 164.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.424 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -90.49 -112.44 1.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' B' ' 93' ' ' ASP . 0.0 OUTLIER -92.16 -33.26 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -118.86 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' B' ' 96' ' ' THR . 33.4 m -53.33 -39.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.465 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 6.8 m80 -38.83 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.647 HG22 ' CE3' ' B' ' 114' ' ' TRP . 16.2 p -95.68 146.05 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.597 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 42.1 t80 -143.09 113.56 7.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' B' ' 111' ' ' HIS . . . -112.24 172.71 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.3 p90 -168.15 143.25 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mt -94.8 134.89 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptm -135.2 147.31 49.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 29.8 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 109' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' B' ' 109' ' ' GLU . 5.5 mp0 -118.33 129.49 55.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.97 119.09 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.467 ' O ' ' HB1' ' B' ' 98' ' ' ALA . 54.8 m80 -103.02 164.5 11.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.546 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.617 HG11 HD22 ' B' ' 23' ' ' LEU . 13.8 t -140.65 153.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 29.7 m-85 -150.3 154.11 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' TRP . . . . . 0.647 ' CE3' HG22 ' B' ' 96' ' ' THR . 66.2 t-105 -111.32 115.34 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.667 ' SG ' HG21 ' B' ' 122' ' ' VAL . 12.6 m -109.95 161.76 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 49.4 mt-10 -140.81 133.58 14.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.1 Cg_endo -75.01 -59.3 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.005 0.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -106.84 166.34 10.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.448 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -92.74 51.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -85.29 -48.05 9.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -73.43 -36.38 65.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.923 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -63.06 -72.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.597 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 4.9 m -47.3 -33.23 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 10.2 tt0 -68.58 -59.91 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.482 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -51.43 -22.05 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.923 HG23 ' O ' ' B' ' 122' ' ' VAL . 8.3 t -89.17 -59.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.47 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -47.57 -37.27 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.7 -35.98 73.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 126' ' ' VAL . . . -55.11 -49.57 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.605 ' SG ' HG22 ' B' ' 82' ' ' VAL . 23.2 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' B' ' 120' ' ' ALA . 89.0 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -24.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ASN . 13.3 tttt -78.71 -69.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -16.38 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.429 ' CD ' HG12 ' B' ' 94' ' ' VAL . 1.3 mt-30 -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -144.47 -46.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 m120 -59.6 -22.24 61.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.89 -157.68 3.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -163.45 135.98 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.872 HG22 ' HB2' ' B' ' 61' ' ' ALA . 66.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -82.96 -39.25 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 64.39 150.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 56.8 m-85 -159.82 91.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -67.53 104.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.433 HG13 ' O ' ' B' ' 18' ' ' PHE . 4.0 m -130.07 -164.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.27 171.5 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.99 108.93 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.642 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 -170.47 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -108.99 126.33 52.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.16 134.02 21.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -75.02 144.52 30.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.402 ' HB ' HG23 ' B' ' 36' ' ' THR . 6.8 m -135.03 175.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -113.98 -55.4 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -89.79 149.25 41.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.435 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -29.82 7.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.61 129.31 66.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.51 134.67 1.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -40.29 52.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -34.94 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.402 HG23 ' HB ' ' B' ' 28' ' ' VAL . 1.0 OUTLIER -68.61 -25.63 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.481 HD21 ' H ' ' B' ' 89' ' ' GLY . 11.2 tp -79.25 -58.24 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.34 -44.55 72.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -44.06 -46.47 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -64.2 -64.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -41.33 -50.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -61.58 -40.51 95.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -62.42 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.613 ' HG ' HD23 ' B' ' 26' ' ' LEU . 50.5 mt -52.63 -45.87 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 1.4 mmt -40.47 -48.58 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -90.01 -38.41 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -39.55 -66.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -108.34 -175.51 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 33.1 m -99.68 171.54 7.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.69 -31.57 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.65 -30.02 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.68 -41.55 95.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.6 m0 -49.74 110.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 158.06 42.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -84.04 133.98 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.37 -177.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 77.1 m-20 -130.35 109.13 10.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.2 ttm -84.44 102.34 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 66' ' ' THR . 7.0 m120 -79.4 129.22 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -132.97 104.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.872 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -105.51 -154.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' B' ' 61' ' ' ALA . 11.2 t70 -39.99 -67.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.998 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -147.43 67.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 60.6 m -158.86 134.13 8.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.471 HG21 HG13 ' B' ' 126' ' ' VAL . 49.7 t -121.94 96.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.604 HG23 ' HG3' ' B' ' 79' ' ' GLU . 25.1 m -110.31 148.79 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' B' ' 77' ' ' LEU . 61.6 t -115.52 101.13 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.414 HG23 ' O ' ' B' ' 75' ' ' GLU . 14.7 mt -101.01 137.22 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.79 ' HA ' HD11 ' B' ' 77' ' ' LEU . 4.8 t -41.81 151.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -67.5 -57.38 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' B' ' 69' ' ' SER . 60.7 m-20 -72.93 140.61 47.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -0.97 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.43 2.13 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 68' ' ' ILE . 16.4 tt0 -102.14 99.23 9.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.915 ' O ' HD23 ' B' ' 77' ' ' LEU . 3.1 p -68.99 162.91 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.915 HD23 ' O ' ' B' ' 76' ' ' VAL . 15.2 mt -134.62 -48.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 t -146.65 142.33 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' B' ' 66' ' ' THR . 4.2 tt0 -124.41 95.05 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.633 ' SG ' HD12 ' B' ' 85' ' ' LEU . 13.6 t -96.15 92.22 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' B' ' 84' ' ' PHE . 22.5 mmt180 -78.44 116.32 18.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.998 HG21 ' HB1' ' B' ' 63' ' ' ALA . 24.2 m -38.59 -45.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.404 ' N ' HG23 ' B' ' 82' ' ' VAL . 0.2 OUTLIER -52.97 -50.74 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' B' ' 81' ' ' ARG . 29.5 m-85 -72.6 -37.25 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.633 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -43.2 144.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -118.01 -51.79 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -140.6 152.91 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.599 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -160.51 130.7 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.063 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.481 ' H ' HD21 ' B' ' 37' ' ' LEU . . . -165.0 -156.64 9.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.492 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -127.53 166.74 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.492 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -88.75 -117.49 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -91.95 -29.8 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.21 136.8 48.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.496 ' HB ' HD13 ' A' ' 11' ' ' LEU . 5.5 m -74.81 -3.43 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' B' ' 117' ' ' PRO . 15.0 m-70 -76.87 -19.6 57.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 71.7 p -102.35 160.92 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.595 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 53.9 t80 -157.68 113.65 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.879 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.97 156.48 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -150.1 141.89 23.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.88 124.29 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -121.46 148.06 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 108' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.477 0.18 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -116.98 128.25 55.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.684 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 30.4 t -99.29 116.43 31.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.562 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.2 m-70 -107.55 109.1 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.879 HG22 ' HB2' ' B' ' 98' ' ' ALA . 41.8 t -90.3 158.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.7 m-85 -151.5 148.36 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -103.28 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.036 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -111.16 153.61 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.57 130.9 19.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -74.94 -58.55 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.014 -0.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -102.89 167.2 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.84 52.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.72 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -85.43 -51.13 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -64.22 -41.08 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.952 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -60.83 -67.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.595 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 3.7 m -53.12 -32.41 47.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 8.0 tp10 -70.68 -53.72 14.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.497 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -56.53 -19.5 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 122' ' ' VAL . 14.9 t -93.59 -53.57 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -52.22 -24.18 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.83 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.59 85.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' B' ' 120' ' ' ALA . 54.4 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 9.1 m -39.84 -48.73 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -51.89 -48.7 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.2 mtt -71.55 -13.27 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.459 ' HG2' HG22 ' B' ' 90' ' ' VAL . 4.3 mt-30 -87.05 -18.81 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -129.46 -96.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 16' ' ' GLN . 8.7 m120 -34.67 -58.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.45 177.84 42.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -121.85 139.15 53.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.691 ' HB ' ' HB2' ' B' ' 61' ' ' ALA . 2.8 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' B' ' 17' ' ' LYS . 13.7 mt-30 -83.64 -56.49 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 16' ' ' GLN . 56.1 mttt 69.2 145.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 96.7 m-85 -157.24 103.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -71.84 98.75 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.402 HG23 ' N ' ' B' ' 21' ' ' GLN . 3.2 m -123.65 -165.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.7 tt0 -105.02 171.08 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.72 110.01 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.674 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -70.72 -33.62 71.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.67 -176.0 16.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.481 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -100.49 128.59 46.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 1.008 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.64 134.69 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 1.008 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 142.53 27.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' B' ' 108' ' ' PHE . 17.1 m -131.61 -168.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.43 -56.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mmt-85 -89.21 150.49 45.06 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.477 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.4 Cg_endo -75.04 -19.22 17.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.74 143.25 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.11 137.18 2.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -38.22 45.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.89 -36.59 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -64.09 -40.26 95.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.02 -70.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.8 m-80 -40.98 -50.98 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.9 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.483 HD13 ' N ' ' B' ' 91' ' ' GLY . 9.8 mt -42.38 -47.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.402 ' O ' HG22 ' B' ' 46' ' ' THR . 12.5 mt-10 -62.02 -44.75 96.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.513 ' OD1' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -57.68 -69.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' B' ' 23' ' ' LEU . 16.8 mt -46.25 -52.49 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.02 -66.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.45 HG23 ' N ' ' B' ' 47' ' ' SER . 5.2 t -69.79 -50.69 40.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' HG23 ' B' ' 46' ' ' THR . 0.4 OUTLIER -38.79 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -78.96 -175.59 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 68.1 m -105.37 -176.93 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.6 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -82.07 -34.28 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.63 -29.0 56.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.92 -42.26 97.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.6 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -50.8 110.3 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.82 40.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.06 130.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.92 -177.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 85.9 m-20 -131.27 112.66 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.608 ' HG2' HG23 ' B' ' 60' ' ' VAL . 26.9 ttm -84.11 99.76 10.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' B' ' 65' ' ' VAL . 5.5 m-80 -78.35 117.48 19.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.608 HG23 ' HG2' ' B' ' 58' ' ' MET . 84.0 t -130.16 102.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.691 ' HB2' ' HB ' ' B' ' 15' ' ' VAL . . . -118.38 -139.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -32.65 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.83 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -146.53 59.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.411 HG23 ' HD3' ' B' ' 81' ' ' ARG . 97.0 m -151.72 123.41 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.423 HG22 HG22 ' B' ' 60' ' ' VAL . 66.3 t -108.43 97.45 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.624 ' CG2' HG13 ' B' ' 76' ' ' VAL . 92.1 m -110.88 141.55 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 77' ' ' LEU . 94.0 t -105.65 98.67 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.814 HG21 ' O ' ' B' ' 73' ' ' GLU . 35.1 mt -93.26 145.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.571 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.7 OUTLIER -57.68 140.11 52.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.035 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.401 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -60.66 -62.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -61.0 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -178.95 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.814 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.5 OUTLIER -136.29 -44.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.57 22.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -114.25 97.77 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.624 HG13 ' CG2' ' B' ' 66' ' ' THR . 81.2 t -75.02 153.79 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' B' ' 69' ' ' SER . 23.8 mt -122.39 -52.66 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.5 t -135.99 136.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.421 ' HG3' HG23 ' B' ' 66' ' ' THR . 1.4 tt0 -117.25 94.8 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.698 ' SG ' HD12 ' B' ' 85' ' ' LEU . 12.0 t -97.52 98.15 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' B' ' 82' ' ' VAL . 10.4 mmt180 -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.83 HG21 ' HB1' ' B' ' 63' ' ' ALA . 21.7 m -38.54 -51.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.452 ' N ' HG23 ' B' ' 82' ' ' VAL . 3.5 mtp180 -47.8 -51.57 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' B' ' 81' ' ' ARG . 8.2 m-85 -70.45 -41.56 72.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.698 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -45.07 142.11 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -117.49 -54.85 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.649 ' HB3' HD12 ' B' ' 100' ' ' ILE . 13.3 t80 -133.78 152.36 51.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.893 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -158.36 133.89 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.46 -151.61 8.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.469 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.9 m -130.52 165.75 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.483 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -87.26 -106.45 0.87 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.47 135.53 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' B' ' 96' ' ' THR . 20.8 m -62.59 -38.48 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' B' ' 94' ' ' VAL . 5.3 m80 -39.58 -32.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.41 ' N ' ' C ' ' B' ' 94' ' ' VAL . 40.5 p -92.22 155.33 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.652 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 25.6 t80 -154.62 116.63 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.756 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -121.0 163.16 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.58 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.6 p90 -156.41 143.65 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.63 125.87 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.404 ' SD ' ' CD2' ' B' ' 111' ' ' HIS . 28.7 ptm -123.92 147.65 47.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 51.5 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 108' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 13.0 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.521 0.201 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -129.09 132.44 47.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.47 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 42.6 t -104.27 105.14 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.6 m-70 -99.45 107.74 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.574 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.756 HG22 ' HB2' ' B' ' 98' ' ' ALA . 30.7 t -90.09 160.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 42.9 m-85 -151.36 164.34 36.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -119.74 109.63 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.02 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.72 161.83 14.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.9 mt-10 -142.77 136.16 14.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.0 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.973 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 118' ' ' ASN . 8.0 p-10 -110.1 167.15 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.52 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -93.18 45.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.829 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -86.01 -31.75 21.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -84.28 -41.37 16.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.867 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.2 t -64.98 -64.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.431 ' N ' HG12 ' B' ' 122' ' ' VAL . 9.8 p -49.41 -31.86 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -74.89 -52.71 10.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.592 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.03 -18.73 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.893 HG12 ' HE1' ' B' ' 88' ' ' MET . 18.9 t -93.73 -37.84 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.84 -41.37 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.78 -59.05 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.101 HD11 ' HB2' ' B' ' 120' ' ' ALA . 38.0 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 2.7 m -62.31 -13.56 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' ASN . 1.5 ttpt -87.02 -70.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.437 ' HA ' ' CA ' ' A' ' 18' ' ' GLY . 10.7 mtt -47.68 -24.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -51.41 -57.32 9.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -115.36 -39.83 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.4 m-80 -69.86 -20.57 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 44.52 -167.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 93.0 t80 -144.1 139.58 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -47.48 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 47.9 mttt 64.27 149.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.641 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 56.1 m-85 -159.68 104.07 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 118.56 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.5 m -146.83 -166.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.454 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.2 tt0 -108.53 170.9 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' TYR . . . . . 0.4 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.0 OUTLIER -122.32 113.76 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -77.71 -46.76 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.29 177.62 15.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ttp -96.93 128.91 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 1.009 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -114.52 134.48 22.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 1.009 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 142.29 27.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' B' ' 110' ' ' CYS . 18.7 m -137.28 -168.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -82.54 150.83 64.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.12 9.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.34 151.45 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 128.83 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.13 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 -21.53 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -84.77 -26.93 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -77.56 -66.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.9 m-80 -40.71 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -38.77 -42.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.063 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.491 HD13 ' N ' ' B' ' 91' ' ' GLY . 4.1 mt -41.18 -51.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.61 -40.88 80.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.48 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.6 OUTLIER -61.45 -69.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' B' ' 23' ' ' LEU . 26.8 mt -47.79 -48.86 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -38.01 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.454 HG23 ' N ' ' B' ' 47' ' ' SER . 4.6 t -68.72 -51.16 44.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.454 ' N ' HG23 ' B' ' 46' ' ' THR . 0.5 OUTLIER -36.94 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.969 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -80.78 177.9 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 46.9 m -100.29 177.49 5.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -79.64 -36.59 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.4 -21.11 53.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.68 -40.77 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 17.5 m0 -50.62 106.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.96 147.19 33.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 147.49 40.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.73 177.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -121.37 107.22 12.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.52 ' SD ' HG13 ' B' ' 65' ' ' VAL . 20.7 tpp -82.49 106.42 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -84.25 117.4 23.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.605 HG11 ' O ' ' B' ' 125' ' ' ALA . 39.2 t -117.46 97.75 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -93.78 -168.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -39.05 -58.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.04 65.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.4 m -160.08 137.44 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.744 HG21 HG13 ' B' ' 126' ' ' VAL . 40.1 t -125.98 96.39 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.642 HG23 ' HG3' ' B' ' 79' ' ' GLU . 26.5 m -111.05 147.25 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.519 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 77.7 t -116.74 99.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 17.8 mt -94.19 147.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.693 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.5 OUTLIER -56.91 130.32 45.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.41 -53.56 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -65.06 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.41 122.39 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -4.2 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.3 29.76 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -126.56 89.87 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.427 HG23 ' CG2' ' B' ' 66' ' ' THR . 12.5 p -64.98 147.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.693 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.5 mt -120.3 -52.9 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 t -138.35 139.91 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.642 ' HG3' HG23 ' B' ' 66' ' ' THR . 5.1 tt0 -125.87 95.68 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.626 ' SG ' HD12 ' B' ' 85' ' ' LEU . 22.7 t -95.28 88.93 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.511 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 1.4 mpt_? -63.73 112.26 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -40.71 -44.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -57.57 -44.84 85.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.511 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 14.0 m-30 -75.9 -30.99 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.626 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.7 OUTLIER -49.29 131.19 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 -60.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' B' ' 88' ' ' MET . 12.2 t80 -138.68 163.8 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.643 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.5 OUTLIER -169.91 131.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.67 -151.08 5.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.515 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -127.56 167.17 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.515 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -87.46 -106.59 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.99 -31.78 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.04 147.02 33.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.465 ' HB ' HD22 ' A' ' 11' ' ' LEU . 11.7 m -77.07 -3.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.631 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 6.1 m80 -77.02 -23.32 52.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.0 p -96.22 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' B' ' 126' ' ' VAL . 25.0 t80 -155.87 112.65 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' B' ' 111' ' ' HIS . . . -110.69 169.83 8.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' B' ' 99' ' ' PHE . 5.3 p90 -163.41 141.5 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -94.62 129.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.6 ptm -125.49 148.43 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.483 0.183 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -124.31 133.33 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.454 ' HB2' HG11 ' B' ' 28' ' ' VAL . 53.6 t -107.76 110.99 22.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.455 ' O ' ' HB1' ' B' ' 98' ' ' ALA . 97.4 m-70 -100.64 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.635 HG12 HD13 ' B' ' 23' ' ' LEU . 5.1 t -143.77 152.97 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 25.6 m-85 -148.82 156.47 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -106.73 116.35 31.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.44 151.23 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.7 OUTLIER -135.51 128.68 18.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.631 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -59.76 0.11 OUTLIER 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 0.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -101.3 177.16 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.49 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -102.65 43.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 1.101 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -86.03 -31.66 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -89.7 -17.53 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.693 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.2 t -87.18 -71.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.557 ' N ' HG12 ' B' ' 122' ' ' VAL . 18.6 p -45.26 -32.56 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' B' ' 127' ' ' GLN . 27.2 tp10 -68.58 -60.3 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.641 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -48.75 -24.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.744 HG13 HG21 ' B' ' 65' ' ' VAL . 4.4 t -93.22 -31.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' B' ' 124' ' ' GLU . 5.9 tt0 -74.84 -26.98 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.446 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -88.28 -16.64 32.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.39 -45.64 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.414 ' HA ' HG22 ' B' ' 82' ' ' VAL . 3.5 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' B' ' 120' ' ' ALA . 66.9 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.26 -34.18 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -68.05 -35.65 78.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.1 mtt -84.11 -11.64 56.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -78.61 -35.99 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.6 OUTLIER -115.04 -84.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLN . 9.7 m120 -39.95 -54.13 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.46 -144.25 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -165.02 136.09 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -57.58 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 18' ' ' PHE . 41.5 mttt 69.18 148.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.42 ' O ' HG13 ' B' ' 20' ' ' VAL . 59.6 m-85 -161.91 104.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -70.63 110.3 5.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.487 HG11 ' SG ' ' B' ' 115' ' ' CYS . 2.5 m -136.25 -165.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.472 ' N ' HG23 ' B' ' 20' ' ' VAL . 2.0 tt0 -109.08 171.26 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.41 106.84 9.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.744 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -65.64 -39.48 91.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.54 17.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.404 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -99.96 128.24 46.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.95 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.63 134.04 23.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.95 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 148.25 34.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.79 -167.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -60.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -86.39 152.45 55.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.14 13.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.7 158.73 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.34 136.06 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.55 -49.99 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 111.023 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -39.24 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.8 m -62.17 -33.42 74.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -72.75 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -40.65 -53.32 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -48.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.32 -67.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' B' ' 45' ' ' MET . 13.6 mt -43.76 -46.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.441 ' O ' HG22 ' B' ' 46' ' ' THR . 4.1 mt-10 -63.81 -37.19 86.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.6 OUTLIER -67.44 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' B' ' 112' ' ' VAL . 34.6 mt -50.5 -36.11 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.2 mmt -53.74 -42.24 67.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.441 HG22 ' O ' ' B' ' 42' ' ' GLU . 1.9 t -100.48 -8.94 22.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' ' O ' ' B' ' 43' ' ' ASN . 1.1 t -74.12 -52.77 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -126.09 171.17 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 38.9 m -87.21 -172.96 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -83.46 -37.06 23.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.9 -29.57 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.61 -41.27 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.2 m0 -53.71 109.03 1.29 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.53 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -75.37 131.18 40.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 171.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -119.17 108.63 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.415 ' SD ' HG13 ' B' ' 65' ' ' VAL . 18.0 tpp -82.31 99.18 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -78.67 133.16 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.545 HG11 ' O ' ' B' ' 125' ' ' ALA . 20.0 t -136.87 107.18 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.57 -150.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.954 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.52 66.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 51.3 m -158.94 133.7 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.82 HG21 HG13 ' B' ' 126' ' ' VAL . 78.1 t -120.96 99.15 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.57 HG23 ' HG3' ' B' ' 79' ' ' GLU . 40.1 m -115.08 134.46 55.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.658 HG21 ' CE2' ' B' ' 113' ' ' PHE . 44.6 t -105.13 102.88 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -96.27 149.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.555 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.9 OUTLIER -58.25 122.29 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.89 -59.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -60.8 119.05 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.92 -7.94 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.4 26.94 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -133.89 100.32 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.11 152.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' B' ' 69' ' ' SER . 42.2 mt -118.94 -51.97 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.79 137.47 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.57 ' HG3' HG23 ' B' ' 66' ' ' THR . 6.0 tt0 -120.97 94.57 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.1 t -99.37 88.54 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' B' ' 84' ' ' PHE . 7.8 mmt85 -69.66 114.09 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.954 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.26 -39.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' B' ' 81' ' ' ARG . 9.3 m-85 -71.78 -38.68 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.45 143.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.267 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 3.1 p -119.21 -51.98 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.963 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -137.31 157.01 47.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.536 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.26 141.27 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.86 -149.17 7.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.549 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.9 m -127.82 171.33 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.549 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -101.03 -107.5 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -99.04 -29.55 12.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.407 ' O ' ' OG1' ' B' ' 96' ' ' THR . 0.4 OUTLIER -119.98 111.21 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' B' ' 95' ' ' HIS . 9.7 m -40.39 -42.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' B' ' 94' ' ' VAL . 2.0 m80 -38.7 -35.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.0 p -91.05 130.53 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.49 ' HB2' ' CB ' ' B' ' 119' ' ' ALA . 40.7 t80 -129.85 113.06 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.701 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -109.05 165.9 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.615 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.0 p90 -164.87 142.62 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -94.55 129.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 26.5 ptm -119.98 147.71 44.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 156.17 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 35.3 t -114.73 152.06 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.584 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.8 m-70 -140.47 109.83 6.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.744 HG12 HD13 ' B' ' 23' ' ' LEU . 37.0 t -93.8 162.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' B' ' 67' ' ' VAL . 33.8 m-85 -151.92 174.11 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' TRP . . . . . 0.518 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 26.6 t-105 -132.89 94.16 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.52 ' SG ' HG11 ' B' ' 122' ' ' VAL . 14.7 m -94.79 161.2 14.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 10.8 mt-10 -137.21 134.05 18.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.05 -54.91 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.999 0.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -112.92 169.21 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' B' ' 122' ' ' VAL . . . -91.32 27.38 1.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.992 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -69.42 -33.22 72.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -79.18 -38.55 35.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.966 ' O ' HG23 ' B' ' 126' ' ' VAL . 0.9 OUTLIER -74.93 -51.08 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.534 ' N ' ' CG2' ' B' ' 122' ' ' VAL . 98.3 p -56.47 -39.48 73.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.7 -36.3 73.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.545 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -71.95 -22.93 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.966 HG23 ' O ' ' B' ' 122' ' ' VAL . 19.9 t -93.28 -45.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.421 ' HB2' ' HE3' ' A' ' 14' ' ' MET . 32.7 tt0 -62.72 -41.52 99.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.89 -23.11 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 125' ' ' ALA . . . -68.25 -41.67 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.824 ' SG ' HG22 ' B' ' 82' ' ' VAL . 12.8 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' B' ' 120' ' ' ALA . 81.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 19.6 m -43.37 -33.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.1 mtt -72.42 -28.9 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -53.3 -32.77 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -127.29 -82.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 16' ' ' GLN . 4.7 m120 -34.51 -44.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.2 -170.95 46.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.518 ' CE1' ' HE2' ' B' ' 88' ' ' MET . 53.4 t80 -137.69 129.3 28.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' OE2' HG11 ' B' ' 32' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' B' ' 61' ' ' ALA . 22.1 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -39.09 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 63.42 151.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 24.3 m-85 -159.17 94.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -71.11 100.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.87 -165.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.1 tt0 -104.3 170.74 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 106.09 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.646 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -68.12 -35.04 77.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.91 -170.71 18.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.0 ttp -107.2 130.67 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.999 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -119.69 134.24 23.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.999 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 146.1 32.28 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.437 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 16.4 m -137.81 165.75 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.47 -51.65 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -99.31 153.95 37.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.59 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.2 Cg_endo -75.0 -25.02 12.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.469 HG11 ' OE2' ' A' ' 20' ' ' GLU . 23.4 m -130.72 164.4 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.52 125.8 2.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -30.48 68.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.83 -32.22 70.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.437 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 98.3 m -76.35 -51.7 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.4 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -42.2 -50.04 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -50.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -59.25 -68.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.529 HD13 ' N ' ' B' ' 91' ' ' GLY . 20.9 mt -39.85 -49.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.439 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -57.75 -70.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.7 mt -45.53 -51.82 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.411 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.1 mmt -36.91 -61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.405 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.0 t -75.88 -40.66 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 46' ' ' THR . 1.9 t -39.02 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -106.04 -176.38 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.508 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 50.3 m -95.33 -174.18 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.59 -36.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.93 -19.82 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -37.34 77.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.59 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 8.6 m0 -57.05 110.49 2.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.3 37.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -85.35 133.11 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.35 168.55 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -118.1 107.31 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 ttm -83.76 103.7 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -79.33 128.87 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.521 HG11 ' HB1' ' B' ' 125' ' ' ALA . 26.2 t -131.89 106.67 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -105.86 -154.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.44 -59.29 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.897 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -152.53 67.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 19.9 m -158.01 136.91 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.703 HG21 HG13 ' B' ' 126' ' ' VAL . 53.1 t -125.71 96.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.557 HG23 ' HG3' ' B' ' 79' ' ' GLU . 21.6 m -111.17 145.34 38.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.454 HG12 HD12 ' B' ' 77' ' ' LEU . 83.1 t -110.77 99.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.746 HG23 ' O ' ' B' ' 75' ' ' GLU . 46.7 mt -95.94 144.57 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.746 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -56.22 127.09 29.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -61.97 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.92 118.76 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.419 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.8 OUTLIER -84.98 -9.47 58.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 25.34 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.746 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.7 OUTLIER -122.81 108.17 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.473 ' O ' HD23 ' B' ' 77' ' ' LEU . 90.4 t -79.49 149.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.746 HD11 ' HA ' ' B' ' 69' ' ' SER . 17.4 mt -123.2 -49.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -141.0 142.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.557 ' HG3' HG23 ' B' ' 66' ' ' THR . 2.7 tt0 -124.06 97.14 5.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.7 ' SG ' HD12 ' B' ' 85' ' ' LEU . 10.5 t -96.83 99.06 10.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 0.8 OUTLIER -81.86 114.05 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.897 HG21 ' HB1' ' B' ' 63' ' ' ALA . 35.8 m -40.31 -33.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -50.47 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 20.2 m-85 -77.91 -19.13 55.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.7 HD12 ' SG ' ' B' ' 80' ' ' CYS . 1.4 tt -63.58 136.71 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -111.4 -65.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.511 ' HB3' HD12 ' B' ' 100' ' ' ILE . 7.5 t80 -120.14 154.62 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.524 ' HB3' HD21 ' B' ' 85' ' ' LEU . 0.0 OUTLIER -168.54 119.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 -138.1 2.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.543 HG23 ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -136.95 167.77 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.543 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -91.62 -99.84 1.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -104.71 -32.97 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.523 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -107.03 140.17 40.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.5 m -73.36 -24.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.523 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 2.9 m80 -60.29 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -103.03 157.15 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.68 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 38.7 t80 -158.38 118.14 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.736 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -122.5 163.82 19.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.1 p90 -157.3 141.48 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.59 HG21 ' HA ' ' B' ' 31' ' ' PRO . 4.6 mt -95.06 124.76 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -120.54 142.93 48.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.488 0.185 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -121.28 132.45 54.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 51.4 t -105.65 117.0 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.326 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 91.5 m-70 -110.24 112.8 24.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.736 HG22 ' HB2' ' B' ' 98' ' ' ALA . 33.0 t -92.65 164.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 59.1 m-85 -155.89 155.57 33.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -111.99 107.59 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.5 m -103.84 151.96 22.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 53.2 mt-10 -134.14 134.38 22.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.029 -0.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.455 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.4 p30 -107.31 169.59 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.94 41.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.819 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -75.04 -42.91 56.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -74.27 -49.59 22.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.792 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -53.64 -66.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.427 ' N ' HG12 ' B' ' 122' ' ' VAL . 58.8 p -44.04 -52.9 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.64 -54.11 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.533 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.74 -29.62 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.792 HG23 ' O ' ' B' ' 122' ' ' VAL . 6.1 t -90.01 -37.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.406 ' HA ' ' HE3' ' B' ' 88' ' ' MET . 4.2 tt0 -57.84 -38.07 74.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.99 -22.27 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.526 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -74.02 -25.75 60.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.962 HD11 ' HB2' ' B' ' 120' ' ' ALA . 83.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 11' ' ' LEU . 46.4 t -38.19 -35.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -71.28 -55.17 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -52.62 -21.07 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG2' HG22 ' B' ' 90' ' ' VAL . 6.0 mt-30 -69.93 -42.82 72.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' B' ' 34' ' ' MET . 4.7 mt-30 -103.86 -84.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLN . 6.1 m120 -39.27 -53.91 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.7 -162.63 49.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 65.3 t80 -139.26 130.75 27.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -60.28 -50.38 73.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 56.3 mttt 59.39 154.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' B' ' 17' ' ' LYS . 73.4 m-85 -161.96 103.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 110.81 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.419 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.6 m -140.1 -167.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.437 ' CB ' ' HB3' ' B' ' 114' ' ' TRP . 1.1 tt0 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.81 118.44 27.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.7 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -79.21 -32.91 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.85 -169.56 15.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.457 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -106.13 125.27 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.12 133.76 22.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.06 158.3 42.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -144.75 -177.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.17 -45.09 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -104.77 154.36 38.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.26 4.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.698 HG12 ' HB2' ' B' ' 87' ' ' PHE . 34.6 m -124.64 165.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.31 125.65 2.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -70.68 -22.22 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -36.18 50.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -69.53 -51.8 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.544 HD21 ' C ' ' B' ' 89' ' ' GLY . 2.8 tp -50.76 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -47.71 -48.35 29.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.28 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' B' ' 45' ' ' MET . 25.1 mt -40.41 -50.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.7 -43.31 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.55 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -59.46 -70.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.626 ' HG ' HD23 ' B' ' 26' ' ' LEU . 22.2 mt -46.33 -50.12 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.5 mmt -36.57 -57.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -81.24 -36.83 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -40.73 -67.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -109.87 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 74.8 m -95.29 -178.49 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.97 -38.94 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.37 -31.93 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.51 -43.29 99.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.605 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 26.3 m0 -48.37 105.83 0.54 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.01 36.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.27 145.42 35.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.79 -176.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -128.8 110.47 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.536 ' HG2' HG23 ' B' ' 60' ' ' VAL . 22.7 ttm -82.85 105.71 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -80.96 116.14 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.536 HG23 ' HG2' ' B' ' 58' ' ' MET . 40.6 t -120.77 98.67 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -98.73 -163.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 2.6 t0 -40.42 -49.07 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 1.014 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -161.64 68.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 20.8 m -160.31 125.85 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.682 HG21 HG13 ' B' ' 126' ' ' VAL . 53.5 t -116.53 95.75 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.808 HG23 ' HG3' ' B' ' 79' ' ' GLU . 20.9 m -114.38 144.73 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.592 HG21 ' HZ ' ' B' ' 113' ' ' PHE . 94.0 t -110.02 97.59 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.5 HG23 ' O ' ' B' ' 75' ' ' GLU . 38.6 mt -94.67 142.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.665 ' HA ' HD11 ' B' ' 77' ' ' LEU . 2.2 t -51.59 142.92 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -56.98 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -59.44 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -81.56 121.28 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.464 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.0 OUTLIER -92.25 -1.45 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.77 11.3 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.5 ' O ' HG23 ' B' ' 68' ' ' ILE . 1.3 tt0 -118.72 107.58 13.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.625 HG13 HG22 ' B' ' 66' ' ' THR . 51.0 t -75.24 157.89 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' B' ' 69' ' ' SER . 17.9 mt -126.76 -48.28 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -143.26 145.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.808 ' HG3' HG23 ' B' ' 66' ' ' THR . 0.9 OUTLIER -128.71 110.02 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.6 t -114.08 88.65 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.4 mpt_? -71.59 123.04 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 1.014 HG21 ' HB1' ' B' ' 63' ' ' ALA . 10.9 m -43.47 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' B' ' 81' ' ' ARG . 71.8 mmt-85 -68.71 -46.6 68.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' B' ' 81' ' ' ARG . 12.1 m-85 -78.04 -39.74 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.569 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.11 128.23 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 86' ' ' SER . . . . . 0.407 ' OG ' HG22 ' B' ' 100' ' ' ILE . 5.7 p -99.02 -58.13 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.698 ' HB2' HG12 ' B' ' 32' ' ' VAL . 71.1 t80 -145.03 153.03 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.777 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.4 OUTLIER -155.3 139.63 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLY . . . . . 0.544 ' C ' HD21 ' B' ' 37' ' ' LEU . . . -166.52 -163.38 20.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.498 HG22 ' HG2' ' A' ' 15' ' ' GLN . 2.0 m -121.06 163.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.406 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -92.0 -131.33 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.54 -22.63 50.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.16 139.1 52.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.03 -17.0 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -68.05 -12.63 61.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.637 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 62.3 p -111.66 132.88 54.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.51 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 64.0 t80 -131.41 119.1 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.597 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -118.03 166.81 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.602 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.5 p90 -161.44 148.06 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.407 HG22 ' OG ' ' B' ' 86' ' ' SER . 3.4 mt -100.03 138.66 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.502 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 2.3 ppp? -131.28 159.37 38.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.525 0.202 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.23 145.11 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.8 t -116.52 118.05 31.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.56 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.7 m-70 -109.21 123.81 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.7 HG12 HD13 ' B' ' 23' ' ' LEU . 17.6 t -104.48 165.97 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.592 ' HZ ' HG21 ' B' ' 67' ' ' VAL . 53.2 m-85 -153.6 163.57 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' TRP . . . . . 0.513 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 45.3 t-105 -118.56 105.62 11.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.36 159.88 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 4.3 mt-10 -141.73 130.33 12.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -62.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.013 -0.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -96.94 176.16 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -104.84 38.07 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.962 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -74.09 -53.85 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.57 -40.17 96.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.581 HG12 ' N ' ' B' ' 123' ' ' SER . 2.1 t -66.05 -71.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.581 ' N ' HG12 ' B' ' 122' ' ' VAL . 72.6 m -45.93 -29.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 37.3 tp10 -74.56 -52.03 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.514 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -53.68 -24.35 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.777 HG12 ' HE1' ' B' ' 88' ' ' MET . 11.9 t -93.37 -39.84 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.48 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.7 30.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.81 -51.43 64.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.046 HD11 ' HB2' ' B' ' 120' ' ' ALA . 18.1 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 22.8 t -41.89 -31.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 19.9 pttt -80.35 -49.78 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.425 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 1.6 mtt -59.53 -12.26 6.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' B' ' 90' ' ' VAL . 10.7 mt-30 -74.17 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -106.2 -42.35 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' LYS . 15.6 m-80 -73.73 -8.45 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 35.47 -151.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 90.1 t80 -161.46 137.5 8.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -61.41 -50.06 74.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 16' ' ' GLN . 56.5 mttt 60.85 148.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 77.1 m-85 -157.55 104.98 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 118.58 14.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.515 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -147.76 -162.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.515 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 mt-30 -112.66 169.09 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.73 99.76 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.443 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -61.06 -36.46 79.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.44 -175.23 18.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttp -103.45 131.05 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 1.03 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.91 133.58 23.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 1.03 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 144.59 30.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.48 -165.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.51 -57.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -80.11 151.26 72.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.66 6.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 m -136.27 149.51 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.37 123.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.515 ' HE1' ' O ' ' B' ' 90' ' ' VAL . 0.0 OUTLIER -71.62 -23.22 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.79 -24.01 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -81.01 -46.98 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' B' ' 40' ' ' ALA . 2.6 tp -59.07 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -46.15 -48.31 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 37' ' ' LEU . . . -80.33 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.533 HD13 ' N ' ' B' ' 91' ' ' GLY . 9.4 mt -40.78 -41.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.429 ' O ' HG22 ' B' ' 46' ' ' THR . 8.2 mt-10 -69.8 -50.7 40.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -60.28 3.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.594 ' HG ' HD23 ' B' ' 26' ' ' LEU . 54.0 mt -53.04 -52.79 57.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mmt -39.31 -65.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.44 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.1 t -67.83 -46.9 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 46' ' ' THR . 40.8 t -35.89 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -95.39 -176.79 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.524 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 57.2 m -96.59 -178.3 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.083 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.97 -39.09 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.91 -26.87 49.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.29 -31.4 70.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.607 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 9.5 m0 -63.53 112.31 6.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 168.03 25.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -94.42 131.38 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.19 -175.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -132.24 107.38 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.0 ttm -83.03 105.08 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -85.62 128.69 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.707 HG11 ' O ' ' B' ' 125' ' ' ALA . 21.9 t -132.2 101.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -104.83 -149.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -37.09 -84.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -135.15 65.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -157.65 144.06 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.697 HG21 HG13 ' B' ' 126' ' ' VAL . 38.4 t -128.39 100.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.51 HG23 ' HG3' ' B' ' 79' ' ' GLU . 50.8 m -113.81 129.92 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 23.5 t -101.54 103.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mt -99.49 155.54 4.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.609 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -60.44 146.02 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -55.32 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.89 -77.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 1.5 m120 -40.75 -68.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 2.5 tt0 85.96 -13.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -122.69 11.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -108.86 95.02 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.436 HG23 ' CG2' ' B' ' 66' ' ' THR . 13.1 p -54.28 138.12 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' B' ' 69' ' ' SER . 12.9 mt -117.08 -57.61 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.19 126.18 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.51 ' HG3' HG23 ' B' ' 66' ' ' THR . 9.7 tt0 -112.27 94.02 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.5 t -96.98 91.27 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.574 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 12.4 mmt180 -69.37 124.29 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -55.34 -19.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -81.4 -27.08 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 21.2 m-85 -98.56 -32.51 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.75 135.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 86' ' ' SER . . . . . 0.403 ' OG ' ' CG2' ' B' ' 100' ' ' ILE . 89.8 p -102.55 -66.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.043 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' B' ' 88' ' ' MET . 57.0 t80 -135.54 165.19 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' B' ' 130' ' ' CYS . 0.0 OUTLIER -169.7 134.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.63 -161.47 10.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.515 ' O ' ' HE1' ' B' ' 34' ' ' MET . 1.8 m -126.69 146.76 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.533 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -69.42 -136.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -81.52 -6.4 58.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.22 137.51 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.573 ' O ' ' HB3' ' B' ' 119' ' ' ALA . 17.3 m -68.89 -22.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -61.08 -21.25 63.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 68.0 p -104.07 134.46 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.584 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 48.2 t80 -134.59 115.52 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.476 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -112.46 171.54 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.575 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.1 p90 -169.79 146.2 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.0 mt -95.12 148.84 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 ptm -141.8 151.55 42.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.545 0.212 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.3 147.4 35.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -119.68 135.4 54.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' B' ' 98' ' ' ALA . 42.9 m80 -121.5 161.45 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.569 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.3 t -144.71 151.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' B' ' 67' ' ' VAL . 12.7 m-85 -145.41 161.96 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -115.07 109.62 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.049 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' B' ' 122' ' ' VAL . 23.1 m -95.07 162.16 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.255 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.427 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.2 mt-10 -141.12 125.11 10.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -63.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.989 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -93.54 171.02 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' B' ' 94' ' ' VAL . . . -101.23 44.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 1.046 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -81.41 -59.22 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -57.03 -30.67 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -75.1 -65.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.584 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 37.3 m -51.0 -37.2 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.41 -53.52 23.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.707 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -54.4 -20.64 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 122' ' ' VAL . 14.7 t -93.34 -45.33 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -40.53 97.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.6 63.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.17 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 53.5 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' B' ' 94' ' ' VAL . 95.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -44.02 -27.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.01 -55.6 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.54 -13.36 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -79.31 -10.23 59.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -157.71 -75.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -41.6 -28.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 52.97 -173.4 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -136.09 139.4 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.655 HG22 ' HB2' ' B' ' 61' ' ' ALA . 20.4 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -39.54 20.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 63.2 151.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.64 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 31.9 m-85 -159.31 95.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 107.45 4.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.35 -167.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.54 168.84 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.69 117.12 24.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.476 ' O ' HD22 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -79.91 -40.64 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.15 -174.27 20.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ttp -104.65 127.59 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 1.004 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.81 133.78 23.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 1.004 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -75.02 156.42 42.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' B' ' 110' ' ' CYS . 16.7 m -144.84 -163.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -61.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -86.38 154.31 56.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.423 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.4 Cg_endo -74.98 -17.8 19.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.83 178.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.84 126.39 3.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.77 80.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.93 -44.71 96.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.6 m -55.43 -25.93 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.08 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' SER . 5.1 m-80 -41.98 -47.72 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' ASN . 5.9 t -38.64 -52.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.63 -67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.489 HG12 HG13 ' B' ' 112' ' ' VAL . 6.1 mt -43.31 -54.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -54.04 -40.09 66.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -70.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.665 ' HG ' HD23 ' B' ' 26' ' ' LEU . 17.6 mt -47.7 -46.52 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -37.58 -40.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -104.46 -32.55 8.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -39.95 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m -131.36 168.65 17.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 52.7 m -97.16 168.73 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.577 ' HD3' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.26 -39.56 68.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.09 -16.37 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.03 -44.32 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.577 ' CE3' ' HD3' ' B' ' 50' ' ' LYS . 27.0 m0 -45.61 107.05 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.74 19.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.1 p -92.64 133.63 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.7 -177.25 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' B' ' 70' ' ' GLU . 17.1 m-20 -132.15 112.81 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.4 ttm -91.62 105.74 17.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -83.68 125.63 32.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.534 HG11 ' O ' ' B' ' 125' ' ' ALA . 24.6 t -127.05 106.53 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.655 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -106.29 -155.32 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -40.94 -66.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.974 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -147.5 68.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -158.56 144.4 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.443 HG21 HG13 ' B' ' 126' ' ' VAL . 38.9 t -132.18 100.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.75 HG23 ' HG3' ' B' ' 79' ' ' GLU . 28.2 m -117.22 140.15 49.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.547 HG12 HD12 ' B' ' 77' ' ' LEU . 65.9 t -106.98 100.37 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.479 HG23 ' O ' ' B' ' 75' ' ' GLU . 40.3 mt -95.76 142.46 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.768 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -52.14 143.98 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' OD1' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.68 -56.53 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.8 -67.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' B' ' 69' ' ' SER . 42.1 m-20 -94.42 124.49 38.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.78 40.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -44.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.479 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.2 OUTLIER -62.03 113.76 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.449 ' O ' HD23 ' B' ' 77' ' ' LEU . 73.0 t -77.83 152.54 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' B' ' 69' ' ' SER . 18.3 mt -121.78 -52.56 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -140.12 143.52 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.75 ' HG3' HG23 ' B' ' 66' ' ' THR . 0.7 OUTLIER -127.76 96.78 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.677 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.5 t -98.67 89.96 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.481 ' CZ ' ' HG2' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -64.0 113.72 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.974 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -44.78 -27.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.9 OUTLIER -72.07 -43.73 64.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.2 m-30 -75.82 -38.7 57.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.677 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -39.39 151.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -128.33 -55.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' B' ' 100' ' ' ILE . 11.3 t80 -129.96 158.14 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.711 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.83 132.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.35 -150.95 6.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.148 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.473 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -129.16 166.03 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.473 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -84.35 -101.86 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -109.49 -22.68 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.04 146.95 41.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.71 ' HB ' HD13 ' A' ' 11' ' ' LEU . 3.3 m -79.47 -3.78 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 22.0 m80 -76.87 -24.93 52.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 43.3 p -98.5 161.15 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 29.6 t80 -158.51 113.16 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -111.88 173.09 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.57 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -169.61 143.68 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.5 mt -95.18 131.18 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.5 ptm -119.37 140.76 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.509 0.195 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -112.39 151.32 29.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.455 ' HB2' HG11 ' B' ' 28' ' ' VAL . 13.4 t -118.36 152.72 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' B' ' 98' ' ' ALA . 51.3 m80 -135.88 164.53 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.604 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 4.6 t -148.61 152.24 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 14.9 m-85 -148.19 161.26 41.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -114.1 111.05 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -107.35 152.36 24.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 108.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.8 134.11 20.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.568 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -74.98 -54.93 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.0 0.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.588 ' CB ' HG23 ' B' ' 94' ' ' VAL . 16.4 p30 -107.9 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -103.06 32.2 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.599 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -67.23 -32.28 73.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -83.74 -49.32 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.785 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -56.39 -61.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.8 p -52.05 -37.8 54.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.9 -56.4 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.64 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -49.23 -24.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.785 HG23 ' O ' ' B' ' 122' ' ' VAL . 20.9 t -93.68 -39.57 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -63.88 -33.41 75.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.07 -26.9 33.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.438 ' CB ' HG21 ' B' ' 82' ' ' VAL . . . -68.04 -49.72 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' B' ' 120' ' ' ALA . 21.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.404 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.18 -26.61 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.39 69.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mtt -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.63 -28.57 47.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.85 -83.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.9 m120 -36.52 -47.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.93 -177.28 31.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -125.96 135.64 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.476 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 45.9 mttt 65.86 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.68 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 58.8 m-85 -156.88 103.66 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 114.69 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.508 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -143.2 -163.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.508 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -112.97 164.02 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -118.96 118.56 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.624 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -79.17 -33.63 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.73 -176.17 16.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.426 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -102.37 130.57 49.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.953 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.48 134.31 22.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.953 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.95 136.39 20.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -130.97 -170.42 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.59 -62.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -79.85 146.38 64.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.43 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.03 -19.86 17.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.39 150.98 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 140.78 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -45.19 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.73 67.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -71.45 -43.4 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.597 HD22 ' HE1' ' B' ' 87' ' ' PHE . 6.6 tp -65.5 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.65 -52.23 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.29 -50.82 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.7 -70.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.63 HD13 ' N ' ' B' ' 91' ' ' GLY . 8.9 mt -40.18 -47.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.35 -45.65 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -59.97 -64.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 26' ' ' LEU . 57.5 mt -50.65 -50.11 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.8 mmt -36.92 -56.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.2 t -82.01 -33.84 29.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.408 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 3.7 t -43.97 -63.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -117.13 -178.16 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -94.37 -176.54 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.0 OUTLIER -78.5 -38.12 41.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -29.79 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -40.27 86.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.4 m0 -55.79 110.78 2.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.73 38.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -85.46 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.6 m -131.21 174.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -120.69 108.25 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 ttm -82.2 102.93 11.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -80.49 132.88 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.623 HG11 ' O ' ' B' ' 125' ' ' ALA . 25.0 t -136.98 98.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.96 -157.45 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.6 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.492 ' HB1' ' CG1' ' B' ' 82' ' ' VAL . . . -140.48 66.64 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -158.46 148.35 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.517 HG21 HG13 ' B' ' 126' ' ' VAL . 47.5 t -133.58 96.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.3 m -108.33 151.4 26.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 77' ' ' LEU . 79.9 t -119.86 106.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.485 HG21 ' O ' ' B' ' 73' ' ' GLU . 2.9 mt -104.33 149.61 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.7 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -60.62 134.23 56.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -52.63 55.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.59 -79.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.83 125.71 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.485 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.2 OUTLIER -89.41 -15.61 32.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.3 27.44 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -127.99 87.99 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.426 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.1 p -60.59 151.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' B' ' 69' ' ' SER . 24.6 mt -121.46 -53.53 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' B' ' 111' ' ' HIS . 2.1 t -143.17 141.74 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -120.61 93.96 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.662 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.4 t -98.21 96.48 8.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -76.87 120.13 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.688 HG22 ' SG ' ' B' ' 130' ' ' CYS . 1.1 t -51.08 -22.53 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -75.81 -41.43 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -85.19 -29.68 24.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.662 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -44.16 135.72 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 61.0 p -104.3 -60.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 88' ' ' MET . 13.1 t80 -132.32 158.16 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -166.46 130.9 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.79 -139.35 2.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.466 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -135.67 164.57 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.63 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -87.8 -94.36 0.97 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -112.06 -37.08 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 142.86 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' B' ' 118' ' ' ASN . 4.7 m -76.18 -16.14 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -68.66 -10.65 57.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.655 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.516 HG22 ' CE3' ' B' ' 114' ' ' TRP . 41.6 p -111.7 157.94 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.604 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 53.4 t80 -157.67 115.23 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.737 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.66 171.07 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.6 p90 -163.08 143.92 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.33 142.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' MET . . . . . 0.55 ' CG ' ' HG3' ' B' ' 109' ' ' GLU . 25.2 ptm -145.52 144.64 30.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 108' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' B' ' 31' ' ' PRO . 20.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.523 0.201 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' GLU . . . . . 0.55 ' HG3' ' CG ' ' B' ' 101' ' ' MET . 12.6 pt-20 -126.29 131.53 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.602 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 52.5 t -101.08 124.19 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.2 m-70 -111.97 109.73 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.737 HG22 ' HB2' ' B' ' 98' ' ' ALA . 38.6 t -89.71 163.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.1 m-85 -153.94 166.7 32.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' TRP . . . . . 0.516 ' CE3' HG22 ' B' ' 96' ' ' THR . 61.0 t-105 -122.08 111.78 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.487 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.5 m -110.36 156.01 21.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 7.6 mt-10 -136.65 135.5 20.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.02 -55.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.982 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.425 ' CB ' HG23 ' B' ' 94' ' ' VAL . 29.7 p30 -107.67 177.59 4.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.601 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -100.85 48.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -84.25 -39.08 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.43 -43.2 27.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.913 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.4 t -62.51 -61.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 26.3 p -52.5 -36.15 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.51 -55.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.68 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.53 -22.12 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.913 HG23 ' O ' ' B' ' 122' ' ' VAL . 13.5 t -93.6 -50.27 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.54 -36.67 64.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.95 -25.88 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' B' ' 82' ' ' VAL . . . -69.06 -51.01 43.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.688 ' SG ' HG22 ' B' ' 82' ' ' VAL . 66.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' B' ' 94' ' ' VAL . 13.8 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.4 m -51.05 -21.81 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -87.43 -27.97 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.1 mtt -80.48 -16.24 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -76.52 -19.06 58.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.4 mp0 -119.18 -97.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -40.4 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 58.61 -144.36 43.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.78 129.54 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.683 HG11 ' OD1' ' B' ' 59' ' ' ASN . 72.1 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -55.37 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttt 68.35 145.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.67 ' O ' HG13 ' B' ' 20' ' ' VAL . 69.0 m-85 -156.22 93.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.56 100.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.67 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.1 m -128.07 -163.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.451 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -107.68 167.16 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.6 115.14 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.528 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -77.27 -41.38 41.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.94 -174.73 19.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.112 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttp -102.83 132.34 49.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.969 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.97 134.28 23.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.969 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 14.6 m -139.73 179.32 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -122.83 -50.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -76.13 135.17 70.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.27 20.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.13 -179.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.25 141.05 11.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.423 ' HE3' ' O ' ' B' ' 90' ' ' VAL . 30.6 mmm -80.21 -40.33 27.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 0.807 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -34.76 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 16.2 m -85.26 -31.59 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' B' ' 110' ' ' CYS . 11.4 tp -70.71 -61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.633 ' HA ' HD12 ' B' ' 41' ' ' ILE . 0.7 OUTLIER -50.65 -45.86 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -39.61 -46.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' B' ' 26' ' ' LEU . . . -64.13 -61.66 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 38' ' ' ASN . 11.3 mt -42.09 -42.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.442 ' O ' HG22 ' B' ' 46' ' ' THR . 21.6 mt-10 -65.87 -53.57 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.427 ' OD1' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -51.2 -60.36 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.522 ' CD2' HD23 ' B' ' 26' ' ' LEU . 76.4 mt -53.41 -54.81 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.402 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.3 mmt -37.46 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.499 HG23 ' N ' ' B' ' 47' ' ' SER . 5.2 t -67.79 -53.69 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.499 ' N ' HG23 ' B' ' 46' ' ' THR . 3.7 m -36.04 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -76.32 -176.55 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.533 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.5 m -105.34 -177.05 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.76 -35.92 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.21 -19.67 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -38.29 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 14.1 m0 -54.63 109.03 1.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.71 42.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.2 p -79.44 132.37 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.35 171.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 91.0 m-20 -120.62 108.7 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.6 ttm -82.28 106.89 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.683 ' OD1' HG11 ' B' ' 15' ' ' VAL . 2.2 m-80 -81.72 130.23 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.462 HG11 ' O ' ' B' ' 125' ' ' ALA . 36.7 t -131.72 103.21 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.1 -160.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.7 OUTLIER -40.64 -58.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.92 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -152.68 69.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.0 m -160.82 140.89 11.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.3 t -128.61 96.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.569 HG23 ' HG3' ' B' ' 79' ' ' GLU . 91.4 m -112.79 132.08 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.548 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 98.5 t -103.11 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -96.94 152.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.636 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.6 t -60.63 136.37 58.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.411 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.68 -56.87 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -63.6 122.2 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -12.39 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -109.51 32.05 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -130.89 89.68 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.467 ' O ' HD23 ' B' ' 77' ' ' LEU . 4.6 p -65.19 152.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' B' ' 69' ' ' SER . 13.7 mt -122.46 -51.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.47 123.74 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.569 ' HG3' HG23 ' B' ' 66' ' ' THR . 5.7 tt0 -109.3 93.88 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' B' ' 85' ' ' LEU . 20.0 t -97.02 99.64 11.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.1 mpt_? -73.75 115.18 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.92 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.83 -27.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' B' ' 81' ' ' ARG . 24.3 mmt180 -70.2 -46.91 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' B' ' 81' ' ' ARG . 11.6 m-85 -75.63 -35.11 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -42.48 148.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 77.8 p -122.16 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.86 ' HB3' HD12 ' B' ' 100' ' ' ILE . 30.8 t80 -122.18 162.74 20.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.85 119.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.85 -161.73 12.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.611 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -121.17 172.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 0.73 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.611 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -106.4 -120.84 4.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.08 140.97 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.612 ' HB ' HD13 ' A' ' 11' ' ' LEU . 3.3 m -72.72 -34.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -42.6 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.425 ' N ' ' C ' ' B' ' 94' ' ' VAL . 21.0 p -100.32 139.23 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.557 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 68.9 t80 -134.9 112.86 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' B' ' 111' ' ' HIS . . . -108.54 170.07 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 99' ' ' PHE . 5.2 p90 -164.65 144.63 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.86 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.3 mt -95.02 133.33 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.8 ptm -133.9 142.89 47.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.468 0.175 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -115.16 124.01 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.617 ' SG ' HD12 ' B' ' 37' ' ' LEU . 46.4 t -100.32 121.87 42.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' B' ' 98' ' ' ALA . 71.6 m80 -110.06 163.53 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.568 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.6 t -143.41 154.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 21.2 m-85 -147.31 168.98 20.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 t-105 -124.87 111.89 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -111.71 158.93 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 108.365 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 41.1 mt-10 -134.81 132.86 20.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -55.97 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.004 -2.499 . . . . 0.0 111.0 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' B' ' 120' ' ' ALA . 50.8 p-10 -106.56 177.89 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' B' ' 97' ' ' PHE . . . -98.9 39.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.541 ' HB2' ' ND2' ' B' ' 118' ' ' ASN . . . -72.37 -65.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -56.76 -19.57 17.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.946 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.0 t -87.06 -62.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.557 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 45.9 m -57.65 -31.26 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.2 -58.54 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.462 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -51.47 -22.06 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.946 HG23 ' O ' ' B' ' 122' ' ' VAL . 21.2 t -93.24 -34.36 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -63.37 -41.7 98.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.23 -20.26 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.17 -57.22 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.597 ' SG ' HG22 ' B' ' 82' ' ' VAL . 11.1 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.828 HD11 ' HB2' ' B' ' 120' ' ' ALA . 88.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -38.95 -30.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.9 ttpt -75.57 -68.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 19' ' ' TYR . 2.8 mmt -41.29 -36.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.32 -63.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.1 OUTLIER -94.75 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -44.65 -63.7 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -172.87 51.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 42.3 t80 -146.82 134.27 20.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.702 ' OE2' HG11 ' B' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -56.24 20.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.435 ' CG ' ' OD1' ' B' ' 59' ' ' ASN . 47.3 mttt 68.59 147.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.596 ' O ' HG13 ' B' ' 20' ' ' VAL . 45.6 m-85 -157.99 92.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -64.01 100.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.596 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.2 m -128.41 -164.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.407 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.1 tt0 -105.35 171.4 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -129.12 102.51 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.752 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -62.26 -40.07 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.41 -170.93 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.476 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.9 ttp -109.29 126.31 53.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.965 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.16 133.46 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.965 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 145.4 31.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.56 -170.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.83 -53.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -87.65 152.45 51.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -75.03 -31.28 6.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . 0.702 HG11 ' OE2' ' A' ' 20' ' ' GLU . 32.6 m -129.2 171.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.82 132.96 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.078 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -82.25 -20.58 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -81.54 -22.77 37.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -85.02 -42.91 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.26 -60.45 3.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.436 ' HA ' HD12 ' B' ' 41' ' ' ILE . 1.3 m-80 -45.78 -47.9 15.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -48.59 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -58.76 -64.86 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' B' ' 38' ' ' ASN . 13.6 mt -40.48 -45.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.2 -48.01 80.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -59.8 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.566 ' HG ' HD23 ' B' ' 26' ' ' LEU . 41.9 mt -54.1 -51.42 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -36.72 -48.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' SER . 2.4 t -88.0 -36.74 16.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.7 t -38.57 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.1 m -113.85 -176.39 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -94.87 -175.47 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.1 ttmt -79.65 -37.21 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -28.73 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.04 -43.53 98.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -52.28 108.64 1.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.59 41.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -84.08 131.94 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.25 169.39 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 92.2 m-20 -115.12 109.77 18.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.1 ttm -82.4 101.01 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASN . . . . . 0.435 ' OD1' ' CG ' ' B' ' 17' ' ' LYS . 5.7 m-20 -76.5 132.84 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.55 HG11 ' O ' ' B' ' 125' ' ' ALA . 56.8 t -136.76 98.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.63 -154.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.32 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.781 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -137.11 65.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -156.96 143.63 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.66 HG21 HG13 ' B' ' 126' ' ' VAL . 76.6 t -130.72 96.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.407 ' CG2' HG23 ' B' ' 76' ' ' VAL . 40.6 m -107.78 151.62 25.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 77' ' ' LEU . 80.4 t -119.72 100.58 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -98.87 148.7 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.524 ' HA ' HD11 ' B' ' 77' ' ' LEU . 2.4 t -56.57 133.64 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.423 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -46.69 -51.72 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -60.54 120.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.16 -5.06 58.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.06 22.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -119.6 88.32 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.407 HG23 ' CG2' ' B' ' 66' ' ' THR . 7.3 p -64.05 147.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' B' ' 69' ' ' SER . 22.5 mt -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.29 137.06 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -117.14 93.99 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.614 ' SG ' HD12 ' B' ' 85' ' ' LEU . 36.9 t -96.99 87.59 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 84' ' ' PHE . 11.8 mmt180 -70.85 112.61 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.781 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.51 -40.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -51.47 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.6 m-85 -72.48 -38.3 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.614 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.9 OUTLIER -39.95 134.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.71 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 75.3 t80 -135.23 166.08 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.46 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.17 138.19 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.99 -152.13 7.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.523 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -127.76 168.65 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.523 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -97.61 -112.27 3.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' B' ' 93' ' ' ASP . 5.8 pttp -88.66 -47.77 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 0.5 OUTLIER -106.6 117.38 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' B' ' 90' ' ' VAL . 35.0 m -44.97 -31.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -47.75 -24.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.509 HG22 ' CE3' ' B' ' 114' ' ' TRP . 65.2 p -102.0 132.38 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -130.5 121.42 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.732 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -118.01 168.49 10.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 5.0 p90 -165.98 142.16 5.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' B' ' 108' ' ' PHE . 3.9 mt -95.42 135.06 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -134.02 148.9 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 108' ' ' PHE . . . . . 0.474 ' HB3' HG23 ' B' ' 100' ' ' ILE . 11.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.541 0.21 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -119.83 133.8 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.529 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 31.2 t -100.27 115.05 29.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 98.6 m-70 -108.43 106.5 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.752 HG12 HD13 ' B' ' 23' ' ' LEU . 41.2 t -90.23 155.07 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.5 m-85 -147.03 151.7 37.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.093 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' TRP . . . . . 0.509 ' CE3' HG22 ' B' ' 96' ' ' THR . 53.8 t-105 -108.48 112.48 24.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.53 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.3 m -102.18 163.46 12.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.341 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' B' ' 117' ' ' PRO . 27.6 mt-10 -139.9 125.06 11.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.08 -66.18 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.024 0.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -95.3 -178.3 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -108.84 46.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.828 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -77.68 -47.55 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.57 -35.77 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.92 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -64.91 -63.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 18.1 t -58.6 -23.29 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 4.1 tp10 -78.7 -54.01 6.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.55 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -56.85 -20.11 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.92 HG23 ' O ' ' B' ' 122' ' ' VAL . 16.9 t -94.07 -47.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -60.04 -26.97 66.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.48 -21.37 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.2 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.574 ' SG ' HG22 ' B' ' 82' ' ' VAL . 2.3 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.801 HD11 ' HB2' ' B' ' 120' ' ' ALA . 21.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 63.3 m -50.04 -23.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -65.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.9 mtt -50.39 -35.42 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.48 ' HA ' HG22 ' B' ' 90' ' ' VAL . 5.5 mt-30 -39.43 -59.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -112.49 -61.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -48.09 -24.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.06 -169.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -140.39 143.49 35.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.797 HG22 ' HB2' ' B' ' 61' ' ' ALA . 39.6 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -34.42 22.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' B' ' 18' ' ' PHE . 0.1 OUTLIER 62.21 155.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.855 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 38.6 m-85 -162.17 94.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -70.78 113.13 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.455 HG11 HG21 ' B' ' 122' ' ' VAL . 2.7 m -140.74 -165.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.445 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -106.84 165.58 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -121.99 110.28 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.582 ' O ' HD22 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -71.71 -30.33 65.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.63 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 121.92 -176.68 16.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -101.33 129.68 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.942 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.23 134.3 24.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.942 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 146.93 33.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.81 -159.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.75 -66.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -78.72 150.41 75.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 m -149.06 139.29 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.63 136.09 1.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.83 -50.21 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -13.15 50.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.1 m -84.33 -36.48 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 40' ' ' ALA . 4.8 tp -75.97 -64.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.2 m120 -40.62 -53.37 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -38.64 -38.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -72.81 -66.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.513 ' O ' ' CG ' ' B' ' 45' ' ' MET . 18.3 mt -41.32 -40.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -69.59 -44.43 70.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -60.95 -61.87 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.63 HD11 ' O ' ' B' ' 24' ' ' GLY . 16.6 mt -52.79 -50.37 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.32 -58.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.404 ' O ' ' C ' ' B' ' 47' ' ' SER . 4.4 t -79.19 -34.82 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.5 t -38.96 -68.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 m -116.31 -179.25 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.3 m -90.66 -177.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.68 -37.3 31.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -18.01 61.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -39.45 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.59 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -54.72 110.34 2.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.8 40.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -86.32 122.58 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.43 173.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -119.99 113.86 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.4 ttm -88.49 99.14 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.1 123.93 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.633 HG11 ' HB1' ' B' ' 125' ' ' ALA . 25.6 t -126.62 105.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.797 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -107.35 -156.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.68 -66.21 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.944 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.3 69.01 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -160.58 138.69 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.406 HG21 HG13 ' B' ' 126' ' ' VAL . 55.8 t -126.03 98.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.441 HG23 ' HG3' ' B' ' 79' ' ' GLU . 92.2 m -114.16 136.02 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.462 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 69.9 t -100.63 104.51 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.795 HG23 ' O ' ' B' ' 75' ' ' GLU . 25.2 mt -98.92 147.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.488 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -64.57 127.34 31.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -58.47 7.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LYS . . . . . 0.464 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 1.4 mmtp -81.16 79.03 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 0.4 OUTLIER 164.19 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 0.6 OUTLIER 88.96 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 40.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.795 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.7 OUTLIER -145.69 116.64 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.4 t -86.51 143.39 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' B' ' 69' ' ' SER . 32.2 mt -114.73 -53.63 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.7 t -137.73 144.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' B' ' 66' ' ' THR . 2.1 tt0 -126.99 94.64 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' B' ' 85' ' ' LEU . 29.0 t -97.81 89.7 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.7 mpt_? -66.12 114.88 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.944 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.4 -27.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' B' ' 81' ' ' ARG . 5.9 mmt85 -72.35 -44.18 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.265 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' B' ' 81' ' ' ARG . 14.6 m-30 -78.02 -34.98 50.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.725 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -39.77 143.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 86' ' ' SER . . . . . 0.421 ' OG ' HG22 ' B' ' 100' ' ' ILE . 2.8 p -115.23 -62.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' B' ' 88' ' ' MET . 9.5 t80 -132.85 150.64 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.559 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -157.39 130.99 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.26 -153.44 7.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.609 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.4 m -126.11 172.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.609 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -94.28 -100.99 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.97 -31.24 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.04 143.1 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.9 m -80.94 2.71 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 10.7 m80 -86.51 -21.66 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 13.5 p -97.1 158.51 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.638 ' CE2' HG21 ' B' ' 126' ' ' VAL . 35.8 t80 -157.88 112.88 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.795 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.35 162.28 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.594 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.2 p90 -153.15 143.57 22.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ILE . . . . . 0.469 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -95.88 130.26 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.7 ptm -128.29 148.17 50.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.503 0.192 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.41 150.33 48.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 45.4 t -118.99 126.37 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.4 m-70 -120.57 109.59 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.795 HG22 ' HB2' ' B' ' 98' ' ' ALA . 39.6 t -90.63 164.49 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.587 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 65.3 m-85 -156.31 156.72 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -111.99 114.73 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.7 m -111.83 149.77 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 36.3 mt-10 -132.67 135.37 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.02 -55.81 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.993 0.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.498 ' CB ' HG23 ' B' ' 94' ' ' VAL . 5.0 p30 -107.22 175.08 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.446 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -98.47 42.08 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.801 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -82.86 -25.42 32.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -43.27 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.899 ' O ' HG23 ' B' ' 126' ' ' VAL . 1.7 t -64.65 -62.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.471 ' N ' HG12 ' B' ' 122' ' ' VAL . 2.2 p -53.45 -37.26 62.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.544 ' OE2' ' HB2' ' B' ' 128' ' ' ALA . 12.1 tp10 -63.01 -56.59 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.855 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -54.15 -20.38 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.899 HG23 ' O ' ' B' ' 122' ' ' VAL . 18.2 t -93.63 -32.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 123' ' ' SER . 3.4 tt0 -70.27 -43.78 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' ALA . . . . . 0.544 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -76.3 -20.25 57.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 125' ' ' ALA . . . -69.32 -42.03 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.734 ' SG ' HG22 ' B' ' 82' ' ' VAL . 58.1 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 108.336 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.622 HD11 ' HB2' ' B' ' 120' ' ' ALA . 73.3 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.19 -25.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASN . 6.3 tttp -74.6 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.467 ' HE3' ' HB2' ' A' ' 19' ' ' TYR . 36.3 mtt -63.77 -9.74 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.459 ' CD ' HG12 ' B' ' 94' ' ' VAL . 2.6 mt-30 -69.2 -27.42 65.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' LYS . 1.1 m-20 -70.62 -25.96 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 56.81 -157.48 11.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 88.7 t80 -153.4 136.58 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.646 HG23 ' HG3' ' B' ' 17' ' ' LYS . 10.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.63 -56.95 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LYS . . . . . 0.646 ' HG3' HG23 ' B' ' 15' ' ' VAL . 68.3 mttt 62.85 151.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 87.6 m-85 -157.14 112.67 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 120.7 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.53 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.4 m -149.57 -162.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLN . . . . . 0.53 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.9 mt-30 -113.15 170.43 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.76 101.29 6.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.679 HD13 HG12 ' B' ' 112' ' ' VAL . 0.6 OUTLIER -62.78 -38.01 88.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.39 -170.59 20.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -105.52 131.69 52.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.762 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.1 OUTLIER -117.52 130.94 24.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 27' ' ' PRO . . . . . 0.762 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.426 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 32.1 m -117.36 -168.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.05 -52.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -93.49 150.52 39.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -74.97 -31.81 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.32 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.42 111.04 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.8 tpt -64.9 -9.69 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.14 -33.8 15.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 1.2 m -78.24 -35.7 47.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.418 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.53 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -42.12 -51.44 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -39.9 -46.59 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -64.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.465 HD13 ' N ' ' B' ' 91' ' ' GLY . 14.4 mt -43.73 -42.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.57 -47.05 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.516 ' O ' HG22 ' B' ' 46' ' ' THR . 0.1 OUTLIER -58.11 -68.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.76 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.9 mt -45.56 -51.57 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.2 mmt -38.11 -48.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . 0.516 HG22 ' O ' ' B' ' 43' ' ' ASN . 2.8 t -88.29 -35.3 17.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.4 t -39.26 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.5 m -112.1 -175.94 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' SER . . . . . 0.483 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.0 m -90.06 -175.96 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -84.57 -34.61 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -21.62 51.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.82 -36.37 78.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' TRP . . . . . 0.594 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -57.1 111.29 3.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.99 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -80.4 130.45 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.13 173.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -126.94 107.5 10.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttm -82.49 108.41 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -92.84 122.52 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' VAL . . . . . 0.536 HG11 ' O ' ' B' ' 125' ' ' ALA . 22.9 t -122.17 109.14 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.639 ' CB ' HG12 ' B' ' 15' ' ' VAL . . . -162.46 166.75 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.87 28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.917 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . 62.6 49.31 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.503 ' N ' ' O ' ' B' ' 61' ' ' ALA . 96.9 m -145.08 129.77 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' VAL . . . . . 0.49 HG21 HG13 ' B' ' 126' ' ' VAL . 54.4 t -106.83 105.21 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.408 ' CG2' HG23 ' B' ' 76' ' ' VAL . 87.6 m -116.92 132.29 56.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 89.3 t -100.95 101.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.404 HG21 ' O ' ' B' ' 73' ' ' GLU . 16.8 mt -94.42 156.0 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.646 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -66.96 118.49 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 69' ' ' SER . 1.1 tt0 -38.72 -47.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -62.09 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -71.71 125.12 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.404 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.8 OUTLIER -81.8 -7.44 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.17 29.3 7.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -129.57 80.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.508 ' O ' HD23 ' B' ' 77' ' ' LEU . 9.3 p -57.52 153.57 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.646 HD11 ' HA ' ' B' ' 69' ' ' SER . 19.5 mt -125.14 -53.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.92 136.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -118.14 93.95 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.705 ' SG ' HD12 ' B' ' 85' ' ' LEU . 12.2 t -96.79 92.57 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' B' ' 83' ' ' ARG . 9.8 mmt85 -71.52 116.14 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.917 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.4 OUTLIER -47.15 -24.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 81' ' ' ARG . 15.4 mmt180 -72.71 -43.02 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 12.7 m-85 -80.44 -33.79 36.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' LEU . . . . . 0.705 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.94 153.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -126.98 -59.02 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 31.0 t80 -131.43 161.71 31.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' MET . . . . . 0.768 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -169.64 137.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.62 -150.31 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.544 HG23 ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -132.64 167.59 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLY . . . . . 0.544 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -94.55 -105.01 1.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.17 -40.69 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.72 144.09 27.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.514 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.2 m -78.84 -24.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 115' ' ' CYS . 1.4 m80 -62.98 -14.9 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.625 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.9 p -99.46 152.7 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' PHE . . . . . 0.678 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 31.6 t80 -156.5 113.51 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.724 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.69 164.92 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.5 p90 -157.43 143.57 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 6.4 mt -94.65 126.76 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -121.92 142.43 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 108' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 24.1 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -124.82 137.92 54.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 42.9 t -113.91 125.0 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 108.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.0 m-70 -113.4 111.28 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' B' ' 98' ' ' ALA . 28.0 t -91.16 162.47 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 41.7 m-85 -152.66 166.65 31.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -125.2 94.9 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' CYS . . . . . 0.616 ' SG ' HG21 ' B' ' 122' ' ' VAL . 12.8 m -89.06 162.29 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.5 mt-10 -139.57 134.08 16.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -57.03 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.997 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ASN . . . . . 0.514 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.1 p30 -104.86 178.03 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ALA . . . . . 0.477 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -103.69 40.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ALA . . . . . 0.622 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -77.04 -48.49 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -69.96 -46.97 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' VAL . . . . . 0.841 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -56.18 -69.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.569 ' N ' HG12 ' B' ' 122' ' ' VAL . 34.9 p -49.13 -35.35 16.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 21.9 tt0 -66.02 -57.63 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.83 -22.56 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 122' ' ' VAL . 5.7 t -93.77 -28.1 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 127' ' ' GLN . . . . . 0.41 ' HA ' ' HE3' ' B' ' 88' ' ' MET . 11.8 tt0 -72.91 -35.62 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.78 -21.73 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.67 -46.4 38.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' CYS . . . . . 0.563 ' HA ' HG22 ' B' ' 82' ' ' VAL . 11.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.87 164.06 26.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.22 129.64 40.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.51 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.744 HG23 ' HD2' ' A' ' 6' ' ' PRO . 2.5 m -54.71 146.55 35.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.744 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.95 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 1.7 tp10 -58.49 -56.46 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.551 ' H ' HG22 ' A' ' 5' ' ' THR . 4.1 tp10 -38.94 -43.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.45 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -50.49 -38.12 42.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' B' ' 120' ' ' ALA . 79.6 mt -77.42 -67.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.85 -35.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.8 -56.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' GLN . 18.7 mtt -60.68 -46.12 91.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.532 ' CD ' HG12 ' B' ' 94' ' ' VAL . 6.1 mt-30 -42.17 -27.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' MET . 1.8 mp0 -123.43 -86.29 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -40.92 -34.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 -141.46 38.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 61.8 t80 -164.57 131.87 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.44 113.87 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 2.8 t-20 -66.41 120.12 67.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -41.29 -39.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 86' ' ' SER . 4.6 t80 -43.35 -54.73 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 65.32 75.71 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' PHE . 72.6 t80 -76.56 106.97 8.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 80.1 m-85 -37.58 135.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 63.16 158.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.52 100.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.99 102.64 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -42.12 140.7 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -179.09 156.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.045 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.81 161.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.26 159.65 31.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.79 170.89 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.21 167.51 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.28 156.47 28.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.46 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 68.5 p -118.97 160.25 41.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.11 29.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -173.49 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.6 p -94.56 126.65 39.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -156.93 156.88 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.55 117.06 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 45.0 t -103.52 146.32 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -51.73 60.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 59.7 mttt 66.9 145.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 62.1 m-85 -153.39 103.09 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.09 119.43 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.539 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.4 m -148.41 -162.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.539 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -113.38 165.16 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -119.48 103.06 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.718 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -63.0 -35.19 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.92 -169.84 20.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.4 ttp -108.19 128.4 54.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.941 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -118.29 133.62 23.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.941 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 147.57 34.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.24 -179.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 -57.53 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 159.06 32.62 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.39 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.91 -177.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.51 133.11 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -45.74 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -19.51 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -80.78 -26.41 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 38' ' ' ASN . 12.7 tp -86.05 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' B' ' 37' ' ' LEU . 91.3 m-20 -40.47 -51.25 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -41.06 -47.56 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.59 -66.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.532 HD13 ' N ' ' B' ' 91' ' ' GLY . 22.3 mt -41.66 -46.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.05 -49.64 73.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -64.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.708 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.7 mt -48.69 -52.35 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.409 ' HE1' ' CH2' ' B' ' 53' ' ' TRP . 2.9 mmt -38.94 -65.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.46 HG23 ' N ' ' B' ' 47' ' ' SER . 5.0 t -68.03 -51.51 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.46 ' N ' HG23 ' B' ' 46' ' ' THR . 0.4 OUTLIER -37.48 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -80.61 174.16 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.403 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 32.0 m -95.03 175.2 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.39 -40.69 57.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -24.09 57.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -63.8 -39.36 94.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.4 m0 -55.89 111.51 3.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -89.34 132.83 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.84 -178.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 71.3 m-20 -130.72 108.56 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttm -82.44 104.61 12.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.78 127.87 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.544 HG11 ' O ' ' B' ' 125' ' ' ALA . 24.4 t -131.34 105.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.89 -157.92 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -41.34 -57.84 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.983 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -155.07 66.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.459 HG23 ' HD2' ' B' ' 81' ' ' ARG . 91.2 m -158.23 133.95 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 80' ' ' CYS . 79.2 t -120.97 101.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -115.75 144.88 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.555 HG12 HD12 ' B' ' 77' ' ' LEU . 75.9 t -111.45 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.577 HG21 ' O ' ' B' ' 73' ' ' GLU . 16.4 mt -100.21 145.47 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.652 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.2 t -52.54 147.47 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.66 -53.66 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -75.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 69' ' ' SER . 18.5 m-20 -68.23 155.6 39.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.577 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.4 tp10 -112.02 -26.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -99.68 32.31 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -126.75 85.52 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.455 ' O ' HD23 ' B' ' 77' ' ' LEU . 6.3 p -63.57 153.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.9 mt -122.79 -50.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.91 125.95 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -105.94 93.73 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.828 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.4 t -102.17 98.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 6.5 mmm180 -78.27 124.33 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.983 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.82 -27.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' B' ' 81' ' ' ARG . 17.6 mmt180 -74.19 -43.53 56.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.461 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 10.2 m-85 -74.29 -41.23 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.828 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -40.74 142.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 5.9 p -116.23 -58.84 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.669 ' HB3' HD12 ' B' ' 100' ' ' ILE . 29.2 t80 -128.83 156.84 43.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.707 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -166.62 137.8 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.9 -152.01 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.501 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -131.7 168.72 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.532 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -92.17 -125.12 3.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -89.31 -15.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -122.73 131.67 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.532 HG12 ' CD ' ' A' ' 15' ' ' GLN . 10.4 m -67.57 -14.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 4.2 m80 -70.83 -12.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.0 p -105.01 158.76 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.603 ' CE2' HG21 ' B' ' 126' ' ' VAL . 61.8 t80 -158.11 114.65 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.835 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -119.11 160.89 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.0 p90 -155.53 143.35 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.8 mt -94.71 141.58 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -140.32 143.0 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.95 105.2 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.748 HG21 ' OE1' ' B' ' 109' ' ' GLU . 32.6 p -63.19 -54.54 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.85 -92.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.44 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 2.6 mt-30 -61.64 -13.16 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.63 138.63 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 14.5 m-85 -132.51 134.52 45.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLU . . . . . 0.748 ' OE1' HG21 ' B' ' 103' ' ' THR . 0.7 OUTLIER -118.46 146.78 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.536 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 11.6 t -119.04 137.44 53.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.6 m-70 -122.76 114.48 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.835 HG22 ' HB2' ' B' ' 98' ' ' ALA . 46.0 t -93.98 164.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 55.6 m-85 -155.54 163.15 40.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -120.19 105.75 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.501 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.2 m -95.92 161.87 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.47 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.8 OUTLIER -141.13 129.96 12.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -62.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.025 0.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.405 ' CB ' HG23 ' B' ' 94' ' ' VAL . 37.4 p30 -96.45 176.57 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 94' ' ' VAL . . . -105.02 44.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.764 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -80.13 -48.58 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.29 -49.38 67.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.853 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -54.13 -70.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.595 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 25.5 m -48.68 -33.84 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 22.9 tt0 -67.6 -51.36 51.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -60.49 -18.01 48.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 122' ' ' VAL . 11.3 t -93.45 -51.56 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.408 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.81 -43.53 77.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 130' ' ' CYS . . . -58.16 -56.96 15.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 98.9 m -41.09 -49.86 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.66 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.53 168.29 9.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 65.43 6.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.78 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.92 106.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -92.68 -55.61 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.86 98.61 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.59 98.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.63 166.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.217 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' THR . 81.6 p -41.88 150.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE2' ' HB1' ' B' ' 120' ' ' ALA . 6.0 tp10 -98.19 -32.1 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -73.3 -51.93 15.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.57 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -67.5 -41.83 83.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' B' ' 120' ' ' ALA . 11.1 mt -78.57 -57.78 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -39.56 -30.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 11.5 tttt -65.7 -60.76 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.533 ' O ' ' HE1' ' B' ' 34' ' ' MET . 10.7 mtt -67.25 -26.06 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HA ' HG22 ' B' ' 90' ' ' VAL . 4.4 mt-30 -45.69 -42.31 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -129.6 -42.25 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 1.5 t-20 -72.17 -10.98 60.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 40.09 -161.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 59.9 t80 -147.38 130.98 16.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.35 132.92 54.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.549 ' CG ' HG22 ' A' ' 23' ' ' THR . 5.4 t-20 -88.9 123.73 66.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.2 3.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.549 HG22 ' CG ' ' A' ' 21' ' ' ASN . 5.0 t -47.53 -45.83 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.486 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 7.0 t80 -45.86 138.64 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 75.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -83.09 46.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 45.25 92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -47.86 -67.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 53.36 74.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.0 ttp -112.22 134.92 53.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ASN . 2.6 pm0 -160.68 138.12 9.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' GLN . 5.5 t30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.5 p -175.6 154.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -61.97 97.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.36 -116.77 3.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -170.5 116.59 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 0.759 . . . . 0.0 109.958 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.96 105.59 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 178.25 17.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.424 1.75 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.496 HG22 ' HD2' ' B' ' 10' ' ' PRO . 18.7 m -88.77 143.93 32.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.496 ' HD2' HG22 ' B' ' 9' ' ' THR . 18.3 Cg_endo -75.01 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.68 131.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -77.37 148.35 35.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -130.29 153.65 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.9 mm? -121.58 130.82 53.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.642 HG12 ' H ' ' B' ' 16' ' ' GLN . 5.5 t -113.98 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.642 ' H ' HG12 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -96.38 -39.21 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 152.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 54.8 m-85 -158.69 94.52 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -69.5 102.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.435 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.9 m -129.07 -168.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -103.01 167.29 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.37 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.614 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -69.97 -38.76 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.73 -173.24 20.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.525 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.2 ttp -104.94 126.16 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.998 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.25 134.75 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.998 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.0 Cg_endo -75.09 139.82 24.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.1 m -127.64 -178.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.69 -49.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -95.29 147.7 33.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.12 6.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.55 160.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.21 133.62 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.533 ' HE1' ' O ' ' A' ' 14' ' ' MET . 96.7 mmm -76.8 -38.31 54.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.37 -34.31 4.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 37.7 m -87.44 -47.14 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -63.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.441 ' HA ' HD12 ' B' ' 41' ' ' ILE . 0.9 OUTLIER -45.04 -46.91 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -41.79 -46.67 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -54.94 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' B' ' 45' ' ' MET . 46.2 mt -50.28 -49.5 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.49 -36.0 82.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -68.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' B' ' 26' ' ' LEU . 35.8 mt -49.82 -46.42 51.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.1 mmt -37.03 -48.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -95.66 -37.05 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -46.11 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 p -123.61 176.71 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -96.01 172.39 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.577 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.19 -39.51 60.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.47 -20.96 59.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.83 -44.98 68.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -49.22 109.68 1.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.94 40.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -84.83 131.56 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 m -135.97 167.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 86.3 m-20 -115.08 111.46 21.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ttm -86.35 104.99 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -79.8 127.84 32.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.558 HG11 ' O ' ' B' ' 125' ' ' ALA . 23.6 t -131.45 106.33 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.95 -153.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -39.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.896 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -147.53 67.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 81.6 m -158.58 138.42 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.424 HG21 HG13 ' B' ' 126' ' ' VAL . 73.5 t -125.6 100.12 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -111.94 142.83 43.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -111.25 102.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.616 HG23 ' O ' ' B' ' 75' ' ' GLU . 18.6 mt -101.48 148.16 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.603 ' HA ' HD11 ' B' ' 77' ' ' LEU . 3.6 t -57.74 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.424 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.3 OUTLIER -49.83 -55.53 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -77.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 83.5 m-20 -69.87 115.97 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -7.81 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -109.35 14.36 23.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.616 ' O ' HG23 ' B' ' 68' ' ' ILE . 3.9 tt0 -110.28 104.1 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.5 144.22 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' B' ' 69' ' ' SER . 19.4 mt -118.56 -57.03 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.54 137.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -119.1 94.66 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 7.3 t -100.14 92.29 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 -73.42 116.87 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.896 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.12 -36.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -50.14 72.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 5.8 m-85 -70.54 -36.16 73.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.557 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -39.63 152.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 p -125.57 -46.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 26.5 t80 -146.46 156.3 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.639 ' HE2' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -167.29 130.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.78 -152.42 6.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.501 ' O ' ' CE ' ' B' ' 34' ' ' MET . 0.9 OUTLIER -133.75 160.34 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.414 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -83.07 -117.6 0.59 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -90.99 -30.87 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.82 139.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' B' ' 96' ' ' THR . 9.1 m -70.42 -36.55 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -42.75 -28.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.426 ' N ' ' C ' ' B' ' 94' ' ' VAL . 61.0 p -96.51 155.3 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.674 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 34.7 t80 -157.95 116.68 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.844 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -117.8 164.56 14.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.607 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.4 p90 -155.95 143.01 19.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -95.06 134.35 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptm -128.95 145.2 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -97.82 107.52 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.495 HG21 ' OE1' ' B' ' 109' ' ' GLU . 12.3 p -97.37 19.15 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.93 152.0 8.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.117 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.46 -171.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 37.1 mt-30 -71.21 -4.39 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -65.95 139.07 58.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 10.3 m-85 -140.6 132.4 27.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' GLU . . . . . 0.495 ' OE1' HG21 ' B' ' 103' ' ' THR . 0.6 OUTLIER -111.77 140.35 46.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.591 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 41.0 t -111.92 135.13 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.2 m-70 -123.23 113.58 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.844 HG22 ' HB2' ' B' ' 98' ' ' ALA . 36.4 t -91.98 161.96 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.9 m-85 -152.09 159.8 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 12.1 t-105 -116.46 105.35 12.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.553 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.3 m -104.05 151.4 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -132.4 136.99 28.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.96 -54.27 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.997 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -110.3 168.84 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.82 31.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.616 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -68.1 -41.56 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.19 -42.4 46.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.984 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.3 t -63.68 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.0 p -52.62 -37.48 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.0 -55.59 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -52.77 -22.2 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.984 HG23 ' O ' ' B' ' 122' ' ' VAL . 16.3 t -93.48 -36.38 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.57 -48.06 70.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.98 66.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.64 -53.78 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.728 ' SG ' HG22 ' B' ' 82' ' ' VAL . 19.9 m -50.97 -55.37 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.25 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.4 168.86 37.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.79 41.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.68 142.14 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 97.5 p -74.92 140.81 44.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.37 -57.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.54 76.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 5' ' ' THR . 0.4 OUTLIER -69.16 178.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 9.8 m -74.03 135.95 76.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.97 -32.08 5.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.57 -26.97 64.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -57.13 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -46.62 -40.52 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -54.52 -46.47 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.546 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' B' ' 94' ' ' VAL . 20.9 mt -72.19 -44.98 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 m -45.8 -55.16 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -41.79 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.459 ' O ' ' HE2' ' B' ' 34' ' ' MET . 5.0 mtt -81.74 -44.94 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' HA ' HG22 ' B' ' 90' ' ' VAL . 2.0 mt-30 -40.31 -53.59 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 1.5 pp0? -111.57 163.07 14.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.82 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . 94.42 164.54 35.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -105.54 134.39 48.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.63 133.83 55.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 1.3 t-20 -89.86 118.86 69.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -35.3 3.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 t -47.59 -42.22 23.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -49.23 135.21 17.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -156.2 86.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 44.29 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.6 44.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 61.99 96.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.7 tpp -101.68 111.66 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 60.06 156.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 140.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.954 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -168.35 166.84 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.31 -144.64 3.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.51 177.1 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.64 -157.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.62 94.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -67.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.2 p -136.08 158.84 72.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.07 32.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -173.48 158.25 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.0 m -117.52 146.46 43.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -157.81 169.1 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.79 158.87 16.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' B' ' 61' ' ' ALA . 40.7 t -142.19 153.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -56.96 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 63.71 149.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.833 ' O ' HG13 ' B' ' 20' ' ' VAL . 68.0 m-85 -157.23 92.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.475 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 1.1 tmm_? -60.93 97.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.833 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.0 m -123.26 -162.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.571 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.2 mt-30 -112.74 171.15 7.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.3 113.42 18.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.559 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -74.13 -34.77 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.52 -177.75 17.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -102.04 127.13 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.16 134.01 22.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 151.4 39.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.9 m -139.76 -175.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -123.8 -50.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -95.35 150.36 37.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.91 9.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.67 139.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' B' ' 36' ' ' THR . . . 155.93 102.32 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' A' ' 14' ' ' MET . 3.6 tpt -45.95 -34.52 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.17 -39.29 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 9.0 m -74.27 -28.32 61.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -71.49 -66.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.73 -45.61 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 t -40.25 -48.18 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.59 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -42.02 -53.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 46' ' ' THR . 24.5 mt-10 -58.84 -38.13 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.7 OUTLIER -66.4 -71.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.732 ' HG ' HD23 ' B' ' 26' ' ' LEU . 29.1 mt -43.85 -39.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.435 ' HE1' ' CH2' ' B' ' 53' ' ' TRP . 3.7 mmt -50.87 -43.32 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.407 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.8 t -99.95 -8.09 24.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.437 ' N ' ' O ' ' B' ' 43' ' ' ASN . 0.0 OUTLIER -93.26 11.33 28.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m 179.59 152.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -83.66 173.6 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.83 -33.23 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.47 -1.74 57.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -5.59 48.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.595 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -91.42 112.92 56.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 154.2 41.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -81.15 141.78 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -143.07 177.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -124.24 108.94 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.3 ttm -84.02 99.04 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' B' ' 66' ' ' THR . 12.4 m-20 -77.8 126.6 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.464 HG11 ' O ' ' B' ' 125' ' ' ALA . 34.7 t -131.37 103.15 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -108.31 -148.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -36.49 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.874 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -135.22 66.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 54.9 m -157.17 146.38 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.475 HG21 HG13 ' B' ' 126' ' ' VAL . 42.0 t -132.88 98.43 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 59' ' ' ASN . 98.4 m -109.06 142.3 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.01 92.66 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.409 HG23 ' C ' ' B' ' 75' ' ' GLU . 9.6 mt -90.15 148.61 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.762 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.2 OUTLIER -57.05 148.45 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.475 ' OE2' ' CD ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -67.75 -56.26 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.16 56.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 6.5 m-20 163.94 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.5 -4.09 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 2.08 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.409 ' C ' HG23 ' B' ' 68' ' ' ILE . 24.2 tt0 -98.05 92.23 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -76.28 141.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' B' ' 69' ' ' SER . 22.2 mt -111.97 -52.6 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.37 144.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -124.21 94.38 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' B' ' 85' ' ' LEU . 8.6 t -96.2 97.45 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' B' ' 84' ' ' PHE . 13.1 mmt180 -78.46 118.8 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.874 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -48.09 -26.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -73.8 -36.88 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.9 m-85 -84.87 -34.1 22.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -43.45 150.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -130.58 -52.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.416 ' HB3' HD12 ' B' ' 100' ' ' ILE . 9.2 t80 -130.08 144.75 51.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.616 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -161.26 127.68 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.99 -150.23 6.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 15' ' ' GLN . 1.7 m -130.15 161.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.41 -120.51 1.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.58 -19.68 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.4 138.73 53.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.717 ' HB ' HD13 ' A' ' 11' ' ' LEU . 20.3 m -75.98 -2.34 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 1.0 OUTLIER -85.54 -11.15 54.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.6 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 72.8 p -114.2 124.55 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' B' ' 126' ' ' VAL . 18.7 t80 -121.02 114.79 22.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.659 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -114.45 150.74 34.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.592 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 8.0 p90 -146.48 142.11 27.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.2 mt -95.92 123.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptm -118.21 138.74 52.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.28 114.32 17.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -109.33 42.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.54 -157.41 27.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -69.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.566 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 5.3 mt-30 -124.77 1.55 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.5 OUTLIER -56.24 145.31 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.8 m-85 -137.28 148.05 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.87 130.21 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.417 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 48.2 t -96.67 121.33 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.4 m-70 -115.33 106.94 14.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' B' ' 98' ' ' ALA . 25.1 t -90.45 165.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.4 m-85 -156.58 161.44 39.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -113.01 109.64 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -102.05 147.88 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 37.4 mt-10 -131.33 129.99 22.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.621 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -75.06 -58.02 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.031 0.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -104.82 -177.23 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -106.22 55.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.57 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -87.41 -47.3 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -70.84 -50.7 32.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.669 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.9 t -54.05 -71.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.483 ' N ' HG12 ' B' ' 122' ' ' VAL . 60.7 p -38.75 -50.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 127' ' ' GLN . 17.8 tt0 -60.73 -58.17 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.464 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -43.06 -28.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 122' ' ' VAL . 4.4 t -93.25 -40.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' B' ' 124' ' ' GLU . 39.5 tt0 -61.75 -31.69 71.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.34 -20.11 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.5 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' B' ' 82' ' ' VAL . 6.1 m -58.21 -44.97 88.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.9 -55.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.056 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.05 168.19 42.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.3 m -64.92 85.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 22.6 m -112.06 109.12 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.37 101.41 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.23 69.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -44.43 123.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 5' ' ' THR . 39.4 p -56.7 160.04 6.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.451 ' OE2' ' HB1' ' B' ' 120' ' ' ALA . 8.8 tp10 -62.12 -64.45 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -42.3 -40.48 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -56.65 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -47.34 -29.18 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' B' ' 120' ' ' ALA . 17.2 mt -85.6 -52.17 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 11.1 t -38.44 -44.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -63.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.72 -38.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG2' HG22 ' B' ' 90' ' ' VAL . 22.9 mt-30 -61.29 -56.49 19.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 12' ' ' SER . 2.1 mp0 -77.72 -95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -40.51 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.14 -179.4 23.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 53.5 t80 -123.07 129.49 51.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.63 118.43 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' B' ' 85' ' ' LEU . 3.5 m120 -58.82 110.98 3.05 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.8 9.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -62.72 -41.9 99.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 9.4 t80 -49.13 160.55 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -169.24 134.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 24' ' ' TYR . 2.1 m-85 -166.96 160.57 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.37 -174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.51 149.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -105.18 -59.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtp 52.23 90.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 41.25 89.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.9 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.82 169.63 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.12 158.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.64 120.65 2.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -172.5 148.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 110.006 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 163.43 23.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 105.08 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.48 8.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 60.5 p -131.43 146.22 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.1 Cg_endo -75.01 170.45 20.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -178.57 149.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.0 p -109.83 97.72 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -121.06 149.39 42.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.13 119.33 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t -126.98 151.64 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -53.05 34.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.584 ' O ' HG13 ' B' ' 20' ' ' VAL . 42.3 m-85 -156.98 93.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.62 99.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.584 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.9 m -126.63 -162.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.415 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -107.51 167.1 10.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.48 101.57 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.732 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -61.48 -40.78 95.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.408 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 129.81 -177.76 17.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.462 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -100.18 131.3 46.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.05 134.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 127.98 11.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 m -114.1 179.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.65 -56.64 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 157.19 34.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.504 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.3 Cg_endo -75.03 -12.24 21.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.81 177.08 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 120.63 3.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -64.48 -32.43 74.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 111.036 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -21.37 60.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.2 m -82.31 -31.16 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 tp -73.02 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.7 m-80 -42.88 -53.54 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -38.95 -44.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -58.96 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.554 HD13 ' N ' ' B' ' 91' ' ' GLY . 12.0 mt -50.33 -46.5 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.49 -39.21 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.551 ' CG ' HD11 ' B' ' 26' ' ' LEU . 1.2 t30 -62.54 -70.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' B' ' 23' ' ' LEU . 52.6 mt -45.99 -48.98 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.409 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.2 OUTLIER -37.7 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -82.57 -44.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.66 160.33 14.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.454 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 61.3 m -90.06 178.92 6.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.6 OUTLIER -74.75 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -33.47 70.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -44.64 79.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.8 m0 -53.8 109.44 1.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.018 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.03 37.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -84.07 130.2 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.18 164.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 95.3 m-20 -110.79 109.83 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.8 ttm -83.56 108.27 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.85 132.5 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.479 HG11 ' HB1' ' B' ' 125' ' ' ALA . 53.1 t -135.16 102.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.3 -168.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 61' ' ' ALA . 19.2 t0 -36.77 -56.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.861 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -152.33 69.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 44.9 m -159.83 141.98 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.434 HG21 HG13 ' B' ' 126' ' ' VAL . 53.5 t -131.09 96.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 78' ' ' VAL . 57.7 m -111.98 147.9 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.602 HG12 HD12 ' B' ' 77' ' ' LEU . 89.1 t -114.34 100.81 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.4 mt -98.76 147.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.464 ' HA ' HD11 ' B' ' 77' ' ' LEU . 5.1 t -57.9 132.77 54.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER -46.33 -51.25 15.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -48.64 134.56 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -96.55 -5.7 38.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.91 18.93 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -112.8 88.98 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.453 ' O ' HD23 ' B' ' 77' ' ' LEU . 7.3 p -68.64 152.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.602 HD12 HG12 ' B' ' 67' ' ' VAL . 19.6 mt -122.15 -53.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 2.2 t -141.81 142.03 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.58 94.34 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.675 ' SG ' HD12 ' B' ' 85' ' ' LEU . 13.3 t -95.33 94.33 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.3 mpt_? -68.25 113.83 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.861 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.6 -27.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.8 OUTLIER -71.79 -44.3 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 9.2 m-30 -78.82 -35.23 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.675 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -40.02 135.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -105.3 -61.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 54.2 t80 -130.92 160.95 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.892 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.6 137.08 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.33 -146.09 5.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 15' ' ' GLN . 1.6 m -131.3 168.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.554 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -92.37 -95.83 1.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -111.12 -32.07 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.68 -29.62 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -52.71 -22.18 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.572 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 22.0 p -98.1 157.94 15.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.528 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.8 t80 -158.41 113.34 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.764 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -115.82 165.16 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.2 p90 -159.26 144.31 15.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.504 HG21 ' HA ' ' B' ' 31' ' ' PRO . 4.3 mt -97.46 139.53 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.519 ' HE2' HG22 ' B' ' 103' ' ' THR . 27.8 ptm -139.07 145.12 39.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.22 117.8 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.519 HG22 ' HE2' ' B' ' 101' ' ' MET . 27.9 p -113.76 -61.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . -89.63 -169.45 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.43 92.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.593 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 16.1 mt-30 69.4 7.13 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -63.58 159.03 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 11.8 m-85 -141.68 126.26 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.37 131.15 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 49.4 t -104.11 114.71 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.2 m-70 -110.52 108.12 17.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.608 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.764 HG22 ' HB2' ' B' ' 98' ' ' ALA . 41.8 t -90.38 162.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 43.5 m-85 -152.0 169.28 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -127.55 108.3 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.796 ' SG ' HG21 ' B' ' 122' ' ' VAL . 21.9 m -103.06 157.19 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -136.1 132.82 19.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -58.69 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.013 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -103.77 176.93 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -98.27 30.18 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -65.56 -45.54 82.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -73.76 -46.9 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.854 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.4 t -60.54 -59.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 119' ' ' ALA . 54.6 p -52.54 -39.51 61.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' B' ' 126' ' ' VAL . 7.2 tp10 -68.15 -59.4 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.479 ' HB1' HG11 ' B' ' 60' ' ' VAL . . . -44.18 -27.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.892 HG12 ' HE1' ' B' ' 88' ' ' MET . 11.9 t -93.2 -41.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -56.76 -31.71 64.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' B' ' 132' ' ' GLY . . . -86.61 -42.22 13.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 62' ' ' ASP . . . -49.61 -40.47 39.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.692 ' SG ' HG22 ' B' ' 82' ' ' VAL . 65.2 m -65.92 -50.02 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 108.301 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 14.7 p -163.39 86.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' B' ' 128' ' ' ALA . . . -67.74 -135.27 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.68 8.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 50.1 p -80.97 90.23 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 97.6 p -136.05 155.48 50.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 8.2 t0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 80.9 -70.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.53 160.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.683 HG22 ' H ' ' A' ' 5' ' ' THR . 4.4 p -58.6 178.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.683 ' H ' HG22 ' A' ' 4' ' ' VAL . 7.6 t -92.07 145.74 31.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 57.02 4.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.779 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 4.0 tp10 -160.5 -52.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.509 ' H ' HG23 ' A' ' 5' ' ' THR . 1.7 tm-20 -48.47 -38.51 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -56.2 -41.27 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -63.11 -42.2 99.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.902 HD11 ' HB2' ' B' ' 120' ' ' ALA . 59.7 mt -71.34 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -38.87 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.44 -60.49 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.3 mtt -53.48 -23.38 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -66.31 -25.98 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -120.84 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.77 -179.34 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 57.1 t80 -123.51 133.03 54.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.2 99.4 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 6.9 t-20 -57.79 110.51 2.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.75 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.433 HG22 ' CG ' ' A' ' 21' ' ' ASN . 6.0 t -41.87 -35.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 11.1 t80 -53.75 -48.53 69.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.41 -75.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 12.0 t80 51.47 81.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.42 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -75.41 71.11 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER 36.09 43.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mmt -64.28 96.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -120.31 -52.25 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -178.05 117.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.37 164.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.57 178.75 40.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.54 168.03 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.2 171.46 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.62 74.61 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.97 43.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 40.1 p -139.15 136.79 18.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.3 Cg_endo -74.94 115.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -161.73 97.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -59.28 131.28 50.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.74 168.26 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.15 168.57 9.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.517 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 21.1 t -120.6 161.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.407 ' C ' ' HE3' ' B' ' 17' ' ' LYS . 0.1 OUTLIER -81.1 -44.47 17.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.517 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 67.68 148.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 52.1 m-85 -155.07 104.65 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 116.16 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.559 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.2 m -144.95 -162.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.559 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -113.84 167.42 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -122.28 113.72 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.505 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -74.87 -35.07 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.21 177.95 15.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' B' ' 111' ' ' HIS . 4.0 tmm? -91.48 138.58 31.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.752 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.955 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -126.06 133.55 25.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.955 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.98 128.3 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.13 -172.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 -52.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -91.26 147.17 34.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.21 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.56 168.16 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.26 141.78 7.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 82.6 mmm -81.35 -42.23 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.92 -22.03 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -89.71 -45.03 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.51 -63.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -50.64 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -40.63 -54.45 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.71 -59.89 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.581 HD13 ' N ' ' B' ' 91' ' ' GLY . 4.9 mt -47.04 -52.85 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.401 ' O ' HG22 ' B' ' 46' ' ' THR . 3.7 mt-10 -60.25 -33.45 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -70.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.633 ' HG ' HD23 ' B' ' 26' ' ' LEU . 14.6 mt -47.51 -43.1 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.8 mmt -41.65 -60.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.401 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.2 t -79.47 -32.43 42.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -44.23 -65.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -114.41 -177.4 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.5 m -94.06 -178.99 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.73 -35.93 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.3 -30.68 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -59.34 -41.04 88.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -55.88 109.63 1.77 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.17 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -86.73 134.24 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.14 -178.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.4 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 35.1 m-20 -133.52 108.92 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.415 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 25.6 ttm -82.67 99.04 9.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.616 ' OD1' HD12 ' B' ' 68' ' ' ILE . 3.9 m120 -76.29 120.36 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.415 ' CG2' ' HG2' ' B' ' 58' ' ' MET . 24.4 t -125.03 109.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.45 -150.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.59 -67.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 1.006 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -150.15 67.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 74.1 m -158.74 142.83 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 80' ' ' CYS . 39.9 t -128.71 101.19 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.2 m -114.15 133.55 55.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.557 HG12 HD12 ' B' ' 77' ' ' LEU . 77.9 t -100.23 101.42 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.616 HD12 ' OD1' ' B' ' 59' ' ' ASN . 32.5 mt -99.33 148.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.634 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.4 t -59.15 134.15 56.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.4 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.61 -55.0 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -71.6 122.59 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.496 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.4 tt0 -88.41 -13.87 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -104.07 32.06 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.51 87.88 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.41 ' O ' HD23 ' B' ' 77' ' ' LEU . 2.8 p -61.91 151.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.634 HD11 ' HA ' ' B' ' 69' ' ' SER . 12.5 mt -121.04 -50.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.33 138.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.424 ' O ' ' CE ' ' B' ' 101' ' ' MET . 8.4 tt0 -118.66 94.4 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.656 ' SG ' HD12 ' B' ' 85' ' ' LEU . 10.5 t -95.96 87.67 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 21.8 mmt180 -66.27 116.22 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 1.006 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.92 -34.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -66.19 -45.17 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 14.8 m-85 -75.34 -36.83 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.656 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.61 140.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.46 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 13.0 p -112.93 -56.42 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 48.7 t80 -136.03 153.94 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.532 ' HE2' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -160.76 127.08 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.12 -156.91 9.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.521 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.8 m -123.74 167.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.581 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -93.61 -97.88 1.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -108.22 -30.52 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.461 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -106.51 152.61 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.2 m -84.6 -25.72 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.461 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 1.7 m80 -64.1 -12.42 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 33.1 p -104.93 144.09 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.666 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.7 t80 -148.54 113.7 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -112.8 170.54 8.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.599 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.8 p90 -163.8 143.03 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.2 mt -95.4 134.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 25.8 ptm -132.78 139.35 47.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.58 119.66 29.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 6.9 p -110.23 40.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.57 137.04 9.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.92 -170.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' B' ' 108' ' ' PHE . 76.1 mt-30 -68.96 -6.58 28.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.451 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.7 OUTLIER -56.05 140.31 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' B' ' 106' ' ' GLN . 18.6 m-85 -140.38 133.49 29.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -118.02 146.75 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.423 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 11.9 t -118.37 129.72 55.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.579 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.0 m-70 -119.36 110.78 17.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' B' ' 98' ' ' ALA . 21.5 t -90.06 164.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.0 m-85 -154.26 166.55 32.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.568 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 16.3 t-105 -125.0 93.45 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' B' ' 122' ' ' VAL . 26.4 m -83.95 160.65 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.8 mt-10 -141.67 131.32 12.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -74.97 -60.84 0.06 OUTLIER 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.991 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.438 ' CB ' HG23 ' B' ' 94' ' ' VAL . 14.1 p-10 -103.35 170.32 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.47 28.47 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.902 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -60.94 -42.15 97.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' B' ' 124' ' ' GLU . 2.0 m120 -77.55 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.886 ' O ' HG23 ' B' ' 126' ' ' VAL . 1.7 t -41.47 -54.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.8 p -58.17 -38.32 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 121' ' ' ASN . 21.5 tt0 -69.62 -62.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -41.96 -28.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 122' ' ' VAL . 21.3 t -92.11 -42.83 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 124' ' ' GLU . 51.4 tt0 -57.22 -37.15 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.24 -26.96 32.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 126' ' ' VAL . . . -53.35 -58.83 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' B' ' 82' ' ' VAL . 87.0 m -46.75 -60.48 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' B' ' 130' ' ' CYS . 0.4 OUTLIER 87.9 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.23 166.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -63.3 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 59.5 p -101.29 117.19 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.21 140.11 27.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.02 86.8 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.713 HG12 ' NH1' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -94.47 166.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.745 HG23 ' HD2' ' A' ' 6' ' ' PRO . 2.8 m -57.35 146.37 63.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.745 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' B' ' 120' ' ' ALA . 13.7 tt0 -53.38 -41.03 65.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.525 ' H ' HG22 ' A' ' 5' ' ' THR . 1.1 tm-20 -61.77 -53.58 54.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.713 ' NH1' HG12 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -51.37 -49.5 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -52.77 -23.94 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.557 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' B' ' 120' ' ' ALA . 89.2 mt -94.8 -50.19 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -46.76 -42.32 16.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -62.61 -38.99 92.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.44 ' HE1' ' CB ' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -80.36 -9.64 59.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' B' ' 90' ' ' VAL . 1.5 mt-30 -80.11 -20.62 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 -51.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.58 -21.56 65.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 43.88 -169.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 85.0 t80 -138.26 137.61 37.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CG ' HG11 ' B' ' 32' ' ' VAL . 4.3 tt0 -122.27 106.93 11.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.75 119.5 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -41.22 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -40.6 -47.08 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE2' ' CD2' ' A' ' 26' ' ' PHE . 8.4 t80 -46.18 -51.87 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 61.67 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.443 ' CD2' ' CE2' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -147.55 129.98 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -99.77 178.92 4.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 54.24 85.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.23 131.9 12.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 mmt 55.61 94.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -41.0 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -164.09 171.21 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -167.67 161.07 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.29 -164.72 10.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.48 165.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.18 171.38 18.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.54 98.04 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 36.5 p -141.07 142.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.2 Cg_endo -75.04 117.08 4.78 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -165.2 117.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -108.35 150.63 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.5 -161.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.02 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.96 HG22 ' HB2' ' B' ' 61' ' ' ALA . 24.6 t -114.2 156.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -39.13 22.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.516 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 64.5 149.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' B' ' 17' ' ' LYS . 52.3 m-85 -162.14 93.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' B' ' 70' ' ' GLU . 1.7 tmm_? -70.55 102.43 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 21' ' ' GLN . 3.3 m -126.3 -164.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.407 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 tt0 -106.52 170.72 7.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.11 112.12 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.55 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -75.51 -33.62 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.507 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 125.91 -175.09 17.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.529 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -103.79 127.45 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.98 133.93 22.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.94 137.06 21.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 17.3 m -126.2 -174.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -54.6 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -89.66 151.6 45.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.8 8.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.492 HG11 ' CG ' ' A' ' 20' ' ' GLU . 25.9 m -129.91 159.9 41.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.74 134.01 3.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mmm -77.44 -41.6 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -26.22 9.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 18.8 m -90.05 -33.93 16.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.75 -60.3 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.422 ' HA ' HD12 ' B' ' 41' ' ' ILE . 2.1 m-80 -49.7 -53.61 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.53 -49.86 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.64 19.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' B' ' 38' ' ' ASN . 27.2 mt -49.08 -46.59 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.444 ' O ' HG22 ' B' ' 46' ' ' THR . 5.5 mt-10 -62.85 -46.85 85.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.93 -65.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.704 ' HG ' HD23 ' B' ' 26' ' ' LEU . 25.5 mt -49.63 -53.5 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.539 ' CE ' HG21 ' B' ' 96' ' ' THR . 3.6 mmt -37.28 -66.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.492 HG23 ' N ' ' B' ' 47' ' ' SER . 5.5 t -69.25 -53.24 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.492 ' N ' HG23 ' B' ' 46' ' ' THR . 2.4 m -36.91 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 45' ' ' MET . 69.1 m -91.46 164.66 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 51.4 m -88.16 176.85 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.82 -36.74 42.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.66 -25.36 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -36.41 84.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -55.67 110.69 2.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.01 41.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -79.94 128.77 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.17 168.72 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 99.6 m-20 -115.15 112.12 22.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.486 ' SD ' HG13 ' B' ' 65' ' ' VAL . 15.2 tpp -88.85 101.64 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -78.83 132.31 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 37.7 t -134.7 102.4 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.96 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -102.69 -154.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 36.2 t0 -39.23 -71.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 1.045 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -143.37 67.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.533 HG23 ' HD3' ' B' ' 81' ' ' ARG . 87.3 m -157.8 146.07 19.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.599 HG21 HG13 ' B' ' 126' ' ' VAL . 37.9 t -133.11 102.86 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.6 m -114.17 146.19 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.588 HG12 HD12 ' B' ' 77' ' ' LEU . 71.4 t -115.36 97.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.446 HG21 ' O ' ' B' ' 73' ' ' GLU . 11.8 mt -98.26 147.4 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.654 ' HA ' HD11 ' B' ' 77' ' ' LEU . 4.6 t -56.46 128.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.956 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' B' ' 19' ' ' ARG . 0.4 OUTLIER -42.92 -52.31 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.82 120.29 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.446 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.0 OUTLIER -85.7 -13.18 49.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -106.9 18.86 21.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.01 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.543 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.0 p -64.65 155.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' B' ' 69' ' ' SER . 11.2 mt -126.29 -52.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.13 131.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.227 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -114.13 94.02 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.798 ' SG ' HD12 ' B' ' 85' ' ' LEU . 6.7 t -96.45 98.46 10.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.533 ' HD3' HG23 ' B' ' 64' ' ' THR . 18.1 mmt85 -77.48 118.72 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 1.045 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -46.75 -27.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -74.04 -39.18 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.0 m-85 -81.33 -37.93 27.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.798 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.41 152.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 33.9 p -129.08 -55.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' B' ' 100' ' ' ILE . 12.5 t80 -127.03 151.91 47.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.586 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -163.62 119.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.86 -158.77 9.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.569 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -124.55 170.66 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.569 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -96.65 -121.56 4.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -81.87 -30.62 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.02 139.42 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.49 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -44.98 -29.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.72 HG22 ' CE3' ' B' ' 114' ' ' TRP . 71.9 p -100.94 139.66 36.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.583 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 15.7 t80 -139.12 119.12 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.752 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -119.66 168.22 11.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.5 p90 -160.61 145.55 14.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' B' ' 87' ' ' PHE . 3.7 mt -95.9 124.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.433 ' HG3' HG23 ' B' ' 103' ' ' THR . 27.1 ptm -121.73 143.62 49.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.59 117.43 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.433 HG23 ' HG3' ' B' ' 101' ' ' MET . 82.7 p -118.14 57.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 140.98 -149.87 21.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -57.34 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.584 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 4.7 mt-30 -118.99 1.53 11.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -55.81 140.27 42.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.1 m-85 -133.53 137.77 45.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -128.33 128.64 44.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.06 118.81 36.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 90.4 m-70 -113.56 110.39 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.752 HG22 ' HB2' ' B' ' 98' ' ' ALA . 33.6 t -90.78 160.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 64.8 m-85 -153.85 148.63 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.72 ' CE3' HG22 ' B' ' 96' ' ' THR . 65.3 t-105 -101.93 117.73 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.569 ' SG ' HG21 ' B' ' 122' ' ' VAL . 56.6 m -107.1 151.65 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.0 mt-10 -134.25 128.62 19.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -57.88 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.974 0.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -103.77 172.11 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -96.91 40.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -73.78 -63.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.57 -36.53 74.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -67.13 -66.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.414 ' N ' HG12 ' B' ' 122' ' ' VAL . 77.8 p -48.82 -40.05 27.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.934 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -70.25 -54.2 13.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.6 -26.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 122' ' ' VAL . 13.3 t -93.57 -50.79 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.417 ' NE2' ' HE3' ' A' ' 13' ' ' LYS . 2.4 tt0 -54.84 -30.07 56.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.43 -27.17 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.21 86.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' B' ' 82' ' ' VAL . 7.7 m -51.66 -38.59 55.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.316 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 16.6 t -173.21 -60.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.9 168.53 44.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.62 24.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.25 102.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.38 97.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.19 168.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.75 83.06 2.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.7 m -62.1 174.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.7 p -56.89 159.56 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -27.71 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.33 -60.37 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -39.25 -44.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -54.39 -54.28 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -45.94 -45.81 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' B' ' 120' ' ' ALA . 83.5 mt -65.92 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -39.56 -52.19 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.049 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -48.34 -51.67 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.2 mtt -60.02 -49.01 79.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -44.04 -33.35 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -111.64 -92.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.7 m120 -33.65 -63.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.67 -175.01 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 43.3 t80 -127.32 132.48 50.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.62 103.0 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 2.0 t-20 -55.1 114.89 7.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -38.66 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -45.4 -47.46 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 9.2 t80 -43.4 115.69 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -140.9 89.63 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.07 124.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -62.5 124.68 21.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -97.24 146.59 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.39 99.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -170.67 170.92 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -55.17 150.25 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.2 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.81 165.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.27 91.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.68 178.94 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.99 150.03 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.28 136.58 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.24 163.12 10.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.25 23.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 9.8 t -91.26 145.41 31.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.3 Cg_endo -74.95 123.32 7.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.89 132.57 47.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.2 p -59.45 87.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.75 171.68 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 127.04 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.14 155.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -56.78 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 69.38 148.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.723 ' O ' HG13 ' B' ' 20' ' ' VAL . 43.2 m-85 -157.3 92.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.07 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.723 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.6 m -127.52 -162.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.429 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.1 tt0 -107.75 171.5 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.448 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.5 t80 -127.42 99.29 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.617 HD22 HG11 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -62.5 -44.88 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.38 -172.91 21.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 5.7 ttp -107.78 136.23 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -122.38 133.45 24.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 143.25 28.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.68 -168.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -48.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.82 150.03 36.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.77 11.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.53 142.49 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.31 115.55 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.91 -29.58 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -28.04 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -72.23 -57.19 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -60.33 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -49.36 -50.02 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -49.7 4.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.42 -65.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.617 HG12 HG13 ' B' ' 112' ' ' VAL . 19.8 mt -44.43 -47.42 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.26 -36.86 73.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.475 ' CG ' HD11 ' B' ' 26' ' ' LEU . 1.0 OUTLIER -67.51 -67.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.661 ' HG ' HD23 ' B' ' 26' ' ' LEU . 10.5 mt -49.84 -47.08 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -36.81 -44.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -98.94 -38.24 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.92 -45.7 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -128.75 161.52 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -79.71 176.83 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.624 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -73.28 -43.03 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.27 -38.5 71.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -36.21 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.624 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 20.8 m0 -60.27 111.15 3.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 107.973 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.97 169.97 21.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.401 ' C ' HG13 ' B' ' 56' ' ' VAL . 2.4 t -95.63 149.77 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.401 HG13 ' C ' ' B' ' 55' ' ' SER . 28.4 m -152.3 169.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 82.6 m-20 -113.61 107.29 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' HG13 ' B' ' 65' ' ' VAL . 18.4 tpp -82.52 103.56 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -77.58 129.79 36.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.482 HG11 ' O ' ' B' ' 125' ' ' ALA . 69.5 t -132.12 99.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -101.27 -161.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' B' ' 61' ' ' ALA . 60.6 t0 -36.96 -66.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.962 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -145.75 68.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 89.0 m -158.78 146.01 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.633 HG21 HG13 ' B' ' 126' ' ' VAL . 42.6 t -133.55 97.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -112.46 138.76 48.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.488 HG12 HD12 ' B' ' 77' ' ' LEU . 73.0 t -107.49 97.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 10.6 mt -92.96 148.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.747 ' HA ' HD11 ' B' ' 77' ' ' LEU . 3.6 t -56.85 138.26 53.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -50.07 -61.22 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.38 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -53.27 132.58 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -97.24 -18.62 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -105.79 40.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -139.53 85.04 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.479 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.7 p -61.56 154.45 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.747 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.4 mt -122.98 -52.44 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -140.01 131.1 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -113.45 93.81 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.8 t -96.8 91.05 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' B' ' 84' ' ' PHE . 14.8 mmt180 -70.32 114.46 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.962 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -41.02 -37.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -47.91 80.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.48 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 22.4 m-85 -71.02 -39.36 72.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.74 144.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.514 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 14.6 p -115.3 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' B' ' 88' ' ' MET . 4.9 t80 -142.28 156.69 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.624 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -160.9 135.85 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.8 -156.18 9.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.424 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -122.5 164.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.424 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -90.49 -112.44 1.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' B' ' 93' ' ' ASP . 0.0 OUTLIER -92.16 -33.26 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -118.86 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' B' ' 96' ' ' THR . 33.4 m -53.33 -39.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.465 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 6.8 m80 -38.83 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.647 HG22 ' CE3' ' B' ' 114' ' ' TRP . 16.2 p -95.68 146.05 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.597 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 42.1 t80 -143.09 113.56 7.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' B' ' 111' ' ' HIS . . . -112.24 172.71 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.3 p90 -168.15 143.25 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mt -94.8 134.89 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptm -135.2 147.31 49.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -89.07 121.94 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 80.6 p -119.72 51.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.74 -151.49 23.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.28 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.578 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 23.2 mt-30 -119.46 9.5 11.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 8.4 mpt_? -56.09 146.77 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 16.0 m-85 -139.19 121.25 15.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' B' ' 109' ' ' GLU . 5.5 mp0 -118.33 129.49 55.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.97 119.09 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.467 ' O ' ' HB1' ' B' ' 98' ' ' ALA . 54.8 m80 -103.02 164.5 11.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.546 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.617 HG11 HD22 ' B' ' 23' ' ' LEU . 13.8 t -140.65 153.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 29.7 m-85 -150.3 154.11 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.647 ' CE3' HG22 ' B' ' 96' ' ' THR . 66.2 t-105 -111.32 115.34 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.667 ' SG ' HG21 ' B' ' 122' ' ' VAL . 12.6 m -109.95 161.76 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 49.4 mt-10 -140.81 133.58 14.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.1 Cg_endo -75.01 -59.3 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.005 0.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -106.84 166.34 10.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.448 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -92.74 51.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -85.29 -48.05 9.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -73.43 -36.38 65.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.923 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -63.06 -72.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.597 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 4.9 m -47.3 -33.23 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 10.2 tt0 -68.58 -59.91 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.482 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -51.43 -22.05 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.923 HG23 ' O ' ' B' ' 122' ' ' VAL . 8.3 t -89.17 -59.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.47 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -47.57 -37.27 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.422 ' HA ' ' CA ' ' B' ' 132' ' ' GLY . . . -70.7 -35.98 73.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 126' ' ' VAL . . . -55.11 -49.57 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.605 ' SG ' HG22 ' B' ' 82' ' ' VAL . 23.2 m -51.79 -52.51 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.75 -55.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' B' ' 128' ' ' ALA . . . 82.5 168.3 41.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.72 36.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 78.1 p -119.1 135.06 54.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 11.1 t 62.88 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.57 -58.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.76 74.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 m -61.09 -172.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 6' ' ' PRO . 2.3 m -62.79 146.67 94.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.527 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 2.7 tp10 -59.2 -55.9 29.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.582 ' H ' HG22 ' A' ' 5' ' ' THR . 3.7 tp10 -40.25 -45.17 2.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.83 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -47.12 -48.71 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.572 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' B' ' 120' ' ' ALA . 89.0 mt -63.86 -56.37 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -24.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ASN . 13.3 tttt -78.71 -69.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -16.38 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' CD ' HG12 ' B' ' 94' ' ' VAL . 1.3 mt-30 -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -144.47 -46.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 m120 -59.6 -22.24 61.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.89 -157.68 3.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -163.45 135.98 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.61 109.67 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' ND2' ' SG ' ' B' ' 130' ' ' CYS . 15.8 t-20 -55.01 114.47 7.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 71.49 4.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -166.43 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 9.2 t80 -43.68 -56.69 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.87 135.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -172.7 158.2 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 26' ' ' PHE . 11.9 m-85 -163.82 -174.34 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.5 74.98 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -165.7 115.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 ttm -105.47 161.89 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -79.12 174.55 11.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -142.01 136.32 30.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 109.944 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.24 160.49 40.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.17 178.54 43.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.79 151.6 20.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.01 164.89 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.85 126.11 0.88 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.406 HG23 ' H ' ' B' ' 9' ' ' THR . 80.5 p -39.19 156.24 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.59 38.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.436 1.756 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.3 63.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -149.86 146.03 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.77 177.52 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 64.46 116.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.872 HG22 ' HB2' ' B' ' 61' ' ' ALA . 66.3 t -142.01 154.97 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -82.96 -39.25 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 64.39 150.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 56.8 m-85 -159.82 91.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -67.53 104.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.433 HG13 ' O ' ' B' ' 18' ' ' PHE . 4.0 m -130.07 -164.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.27 171.5 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.99 108.93 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.642 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 -170.47 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -108.99 126.33 52.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.16 134.02 21.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -75.02 144.52 30.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.402 ' HB ' HG23 ' B' ' 36' ' ' THR . 6.8 m -135.03 175.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -113.98 -55.4 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -89.79 149.25 41.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.435 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -29.82 7.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.61 129.31 66.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.51 134.67 1.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -40.29 52.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -34.94 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.402 HG23 ' HB ' ' B' ' 28' ' ' VAL . 1.0 OUTLIER -68.61 -25.63 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.481 HD21 ' H ' ' B' ' 89' ' ' GLY . 11.2 tp -79.25 -58.24 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.34 -44.55 72.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -44.06 -46.47 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -64.2 -64.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -41.33 -50.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -61.58 -40.51 95.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -62.42 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.613 ' HG ' HD23 ' B' ' 26' ' ' LEU . 50.5 mt -52.63 -45.87 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 1.4 mmt -40.47 -48.58 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -90.01 -38.41 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -39.55 -66.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -108.34 -175.51 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 33.1 m -99.68 171.54 7.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.69 -31.57 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.65 -30.02 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.68 -41.55 95.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.6 m0 -49.74 110.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 158.06 42.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -84.04 133.98 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.37 -177.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 77.1 m-20 -130.35 109.13 10.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.2 ttm -84.44 102.34 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 66' ' ' THR . 7.0 m120 -79.4 129.22 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -132.97 104.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.872 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -105.51 -154.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' B' ' 61' ' ' ALA . 11.2 t70 -39.99 -67.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.998 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -147.43 67.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 60.6 m -158.86 134.13 8.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.471 HG21 HG13 ' B' ' 126' ' ' VAL . 49.7 t -121.94 96.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.604 HG23 ' HG3' ' B' ' 79' ' ' GLU . 25.1 m -110.31 148.79 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' B' ' 77' ' ' LEU . 61.6 t -115.52 101.13 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.414 HG23 ' O ' ' B' ' 75' ' ' GLU . 14.7 mt -101.01 137.22 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.79 ' HA ' HD11 ' B' ' 77' ' ' LEU . 4.8 t -41.81 151.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -67.5 -57.38 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' B' ' 69' ' ' SER . 60.7 m-20 -72.93 140.61 47.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -0.97 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.43 2.13 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 68' ' ' ILE . 16.4 tt0 -102.14 99.23 9.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.915 ' O ' HD23 ' B' ' 77' ' ' LEU . 3.1 p -68.99 162.91 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.915 HD23 ' O ' ' B' ' 76' ' ' VAL . 15.2 mt -134.62 -48.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 t -146.65 142.33 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' B' ' 66' ' ' THR . 4.2 tt0 -124.41 95.05 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.633 ' SG ' HD12 ' B' ' 85' ' ' LEU . 13.6 t -96.15 92.22 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' B' ' 84' ' ' PHE . 22.5 mmt180 -78.44 116.32 18.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.998 HG21 ' HB1' ' B' ' 63' ' ' ALA . 24.2 m -38.59 -45.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.404 ' N ' HG23 ' B' ' 82' ' ' VAL . 0.2 OUTLIER -52.97 -50.74 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.499 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 29.5 m-85 -72.6 -37.25 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.633 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -43.2 144.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.512 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 87.5 p -118.01 -51.79 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -140.6 152.91 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.599 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -160.51 130.7 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.063 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.481 ' H ' HD21 ' B' ' 37' ' ' LEU . . . -165.0 -156.64 9.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.492 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -127.53 166.74 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.492 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -88.75 -117.49 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -91.95 -29.8 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.21 136.8 48.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.496 ' HB ' HD13 ' A' ' 11' ' ' LEU . 5.5 m -74.81 -3.43 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' B' ' 117' ' ' PRO . 15.0 m-70 -76.87 -19.6 57.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 71.7 p -102.35 160.92 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.595 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 53.9 t80 -157.68 113.65 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.879 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.97 156.48 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -150.1 141.89 23.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.88 124.29 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -121.46 148.06 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -91.71 102.48 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.89 65.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . 141.25 -175.87 22.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.1 88.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.424 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 56.5 mt-30 68.09 7.7 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.429 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.1 OUTLIER -59.15 143.75 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 17.7 m-85 -137.2 114.89 11.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -116.98 128.25 55.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.684 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 30.4 t -99.29 116.43 31.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.562 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.2 m-70 -107.55 109.1 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.879 HG22 ' HB2' ' B' ' 98' ' ' ALA . 41.8 t -90.3 158.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.7 m-85 -151.5 148.36 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -103.28 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.036 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -111.16 153.61 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.57 130.9 19.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -74.94 -58.55 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.014 -0.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -102.89 167.2 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.84 52.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.72 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -85.43 -51.13 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -64.22 -41.08 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.952 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -60.83 -67.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.595 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 3.7 m -53.12 -32.41 47.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 8.0 tp10 -70.68 -53.72 14.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.497 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -56.53 -19.5 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 122' ' ' VAL . 14.9 t -93.59 -53.57 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -52.22 -24.18 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.83 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.59 85.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.441 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 90.7 m -79.77 -45.38 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -46.64 -55.13 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 168.75 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 52.3 p -49.89 141.99 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 12.7 t 67.23 120.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.3 63.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.371 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.23 92.88 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.549 HG22 ' H ' ' A' ' 5' ' ' THR . 8.2 p -49.05 171.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.549 ' H ' HG22 ' A' ' 4' ' ' VAL . 48.3 p -137.05 157.4 74.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.442 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.17 -54.75 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.6 tp10 -55.84 -55.81 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -40.95 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -64.83 -41.05 96.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' B' ' 120' ' ' ALA . 54.4 mt -73.35 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 9.1 m -39.84 -48.73 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -51.89 -48.7 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.2 mtt -71.55 -13.27 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.459 ' HG2' HG22 ' B' ' 90' ' ' VAL . 4.3 mt-30 -87.05 -18.81 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -129.46 -96.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 16' ' ' GLN . 8.7 m120 -34.67 -58.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.45 177.84 42.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -121.85 139.15 53.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.27 95.38 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.636 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.3 OUTLIER -40.76 106.62 0.43 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 76.32 3.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' ND2' ' A' ' 21' ' ' ASN . 2.5 t -170.49 -40.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 8.9 t80 -42.14 -47.04 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 119.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -171.79 101.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.31 163.24 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 157.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -175.71 126.71 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.2 ttp -76.57 159.14 30.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.6 147.28 51.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -162.21 158.81 25.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -145.91 108.5 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.26 163.13 32.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -172.66 126.55 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.33 89.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.66 84.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 163.3 35.55 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -72.37 157.4 89.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 82.36 2.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -150.44 81.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -55.26 152.59 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.28 170.39 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' B' ' 14' ' ' LEU . 4.0 mm? -95.43 116.03 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.691 ' HB ' ' HB2' ' B' ' 61' ' ' ALA . 2.8 p -125.36 152.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' B' ' 17' ' ' LYS . 13.7 mt-30 -83.64 -56.49 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 16' ' ' GLN . 56.1 mttt 69.2 145.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 96.7 m-85 -157.24 103.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -71.84 98.75 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.402 HG23 ' N ' ' B' ' 21' ' ' GLN . 3.2 m -123.65 -165.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.7 tt0 -105.02 171.08 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.72 110.01 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.674 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -70.72 -33.62 71.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.67 -176.0 16.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.481 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -100.49 128.59 46.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 1.008 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.64 134.69 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 1.008 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 142.53 27.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' B' ' 108' ' ' PHE . 17.1 m -131.61 -168.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.43 -56.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mmt-85 -89.21 150.49 45.06 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.477 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.4 Cg_endo -75.04 -19.22 17.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.74 143.25 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.11 137.18 2.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -38.22 45.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.89 -36.59 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -64.09 -40.26 95.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.02 -70.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.8 m-80 -40.98 -50.98 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.9 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.483 HD13 ' N ' ' B' ' 91' ' ' GLY . 9.8 mt -42.38 -47.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.402 ' O ' HG22 ' B' ' 46' ' ' THR . 12.5 mt-10 -62.02 -44.75 96.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.513 ' OD1' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -57.68 -69.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' B' ' 23' ' ' LEU . 16.8 mt -46.25 -52.49 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.02 -66.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.45 HG23 ' N ' ' B' ' 47' ' ' SER . 5.2 t -69.79 -50.69 40.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' HG23 ' B' ' 46' ' ' THR . 0.4 OUTLIER -38.79 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -78.96 -175.59 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 68.1 m -105.37 -176.93 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.6 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -82.07 -34.28 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.63 -29.0 56.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.92 -42.26 97.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.6 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -50.8 110.3 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.82 40.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.06 130.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.92 -177.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 85.9 m-20 -131.27 112.66 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.608 ' HG2' HG23 ' B' ' 60' ' ' VAL . 26.9 ttm -84.11 99.76 10.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' B' ' 65' ' ' VAL . 5.5 m-80 -78.35 117.48 19.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.608 HG23 ' HG2' ' B' ' 58' ' ' MET . 84.0 t -130.16 102.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.691 ' HB2' ' HB ' ' B' ' 15' ' ' VAL . . . -118.38 -139.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -32.65 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.83 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -146.53 59.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.411 HG23 ' HD3' ' B' ' 81' ' ' ARG . 97.0 m -151.72 123.41 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.423 HG22 HG22 ' B' ' 60' ' ' VAL . 66.3 t -108.43 97.45 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.624 ' CG2' HG13 ' B' ' 76' ' ' VAL . 92.1 m -110.88 141.55 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 77' ' ' LEU . 94.0 t -105.65 98.67 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.814 HG21 ' O ' ' B' ' 73' ' ' GLU . 35.1 mt -93.26 145.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.571 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.7 OUTLIER -57.68 140.11 52.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.035 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.401 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -60.66 -62.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -61.0 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -178.95 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.814 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.5 OUTLIER -136.29 -44.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.57 22.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -114.25 97.77 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.624 HG13 ' CG2' ' B' ' 66' ' ' THR . 81.2 t -75.02 153.79 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' B' ' 69' ' ' SER . 23.8 mt -122.39 -52.66 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.5 t -135.99 136.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.421 ' HG3' HG23 ' B' ' 66' ' ' THR . 1.4 tt0 -117.25 94.8 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.698 ' SG ' HD12 ' B' ' 85' ' ' LEU . 12.0 t -97.52 98.15 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' B' ' 82' ' ' VAL . 10.4 mmt180 -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.83 HG21 ' HB1' ' B' ' 63' ' ' ALA . 21.7 m -38.54 -51.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.452 ' N ' HG23 ' B' ' 82' ' ' VAL . 3.5 mtp180 -47.8 -51.57 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.519 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 8.2 m-85 -70.45 -41.56 72.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.698 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -45.07 142.11 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 4.3 p -117.49 -54.85 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.649 ' HB3' HD12 ' B' ' 100' ' ' ILE . 13.3 t80 -133.78 152.36 51.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.893 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -158.36 133.89 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.46 -151.61 8.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.469 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.9 m -130.52 165.75 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.483 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -87.26 -106.45 0.87 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.47 135.53 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' B' ' 96' ' ' THR . 20.8 m -62.59 -38.48 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' B' ' 94' ' ' VAL . 5.3 m80 -39.58 -32.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.41 ' N ' ' C ' ' B' ' 94' ' ' VAL . 40.5 p -92.22 155.33 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.652 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 25.6 t80 -154.62 116.63 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.756 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -121.0 163.16 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.58 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.6 p90 -156.41 143.65 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.63 125.87 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.404 ' SD ' ' CD2' ' B' ' 111' ' ' HIS . 28.7 ptm -123.92 147.65 47.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -92.75 102.4 14.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.5 60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.35 -172.34 29.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.7 89.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.594 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 36.4 mt-30 69.51 6.13 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -63.08 152.22 37.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 13.0 m-85 -140.16 133.39 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -129.09 132.44 47.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.47 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 42.6 t -104.27 105.14 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.6 m-70 -99.45 107.74 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.574 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.756 HG22 ' HB2' ' B' ' 98' ' ' ALA . 30.7 t -90.09 160.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 42.9 m-85 -151.36 164.34 36.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -119.74 109.63 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.02 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.72 161.83 14.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.9 mt-10 -142.77 136.16 14.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.0 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.973 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 118' ' ' ASN . 8.0 p-10 -110.1 167.15 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.52 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -93.18 45.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.829 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -86.01 -31.75 21.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -84.28 -41.37 16.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.867 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.2 t -64.98 -64.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.431 ' N ' HG12 ' B' ' 122' ' ' VAL . 9.8 p -49.41 -31.86 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -74.89 -52.71 10.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.592 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.03 -18.73 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.893 HG12 ' HE1' ' B' ' 88' ' ' MET . 18.9 t -93.73 -37.84 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.84 -41.37 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.78 -59.05 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 97.5 m -57.85 -43.83 86.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 25.7 t -54.1 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.54 169.39 45.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 156.5 43.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.757 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.75 95.1 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 87.9 p 54.54 100.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.22 139.43 39.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.39 76.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.66 153.93 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 8' ' ' GLU . 2.6 t -76.42 147.64 79.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 56.94 4.43 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.629 ' CD ' ' HB1' ' B' ' 120' ' ' ALA . 9.3 tp10 -162.33 -50.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.527 ' H ' HG23 ' A' ' 5' ' ' THR . 13.9 tp10 -50.92 -29.35 11.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -65.18 -47.63 76.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -59.32 -35.59 74.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.101 HD11 ' HB2' ' B' ' 120' ' ' ALA . 38.0 mt -78.81 -43.12 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 2.7 m -62.31 -13.56 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' ASN . 1.5 ttpt -87.02 -70.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.437 ' HA ' ' CA ' ' A' ' 18' ' ' GLY . 10.7 mtt -47.68 -24.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -51.41 -57.32 9.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -115.36 -39.83 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.4 m-80 -69.86 -20.57 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 44.52 -167.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 93.0 t80 -144.1 139.58 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.44 115.0 23.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.508 ' CG ' HG22 ' A' ' 23' ' ' THR . 6.5 t-20 -57.64 122.23 54.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.02 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.508 HG22 ' CG ' ' A' ' 21' ' ' ASN . 5.8 t -47.71 -44.56 27.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.16 -168.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.25 39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 57.49 167.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -50.26 178.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.67 164.95 14.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -162.56 88.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.47 85.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.45 118.99 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.7 p30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.32 124.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.72 161.19 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.53 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.23 138.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.66 169.52 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.11 165.93 30.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.92 5.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 8.8 t -114.31 145.82 34.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.4 Cg_endo -74.95 -169.84 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.43 172.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -144.95 131.47 19.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.31 177.93 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.63 128.42 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -121.36 139.77 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -47.48 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 47.9 mttt 64.27 149.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.641 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 56.1 m-85 -159.68 104.07 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 118.56 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.5 m -146.83 -166.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.454 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.2 tt0 -108.53 170.9 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' TYR . . . . . 0.4 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.0 OUTLIER -122.32 113.76 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -77.71 -46.76 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.29 177.62 15.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ttp -96.93 128.91 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 1.009 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -114.52 134.48 22.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 1.009 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 142.29 27.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' B' ' 110' ' ' CYS . 18.7 m -137.28 -168.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -82.54 150.83 64.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.12 9.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.34 151.45 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 128.83 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.13 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 -21.53 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -84.77 -26.93 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -77.56 -66.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.9 m-80 -40.71 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -38.77 -42.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.063 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.491 HD13 ' N ' ' B' ' 91' ' ' GLY . 4.1 mt -41.18 -51.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.61 -40.88 80.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.48 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.6 OUTLIER -61.45 -69.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' B' ' 23' ' ' LEU . 26.8 mt -47.79 -48.86 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -38.01 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.454 HG23 ' N ' ' B' ' 47' ' ' SER . 4.6 t -68.72 -51.16 44.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.454 ' N ' HG23 ' B' ' 46' ' ' THR . 0.5 OUTLIER -36.94 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.969 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -80.78 177.9 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 46.9 m -100.29 177.49 5.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -79.64 -36.59 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.4 -21.11 53.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.68 -40.77 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 17.5 m0 -50.62 106.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.96 147.19 33.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 147.49 40.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.73 177.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -121.37 107.22 12.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.52 ' SD ' HG13 ' B' ' 65' ' ' VAL . 20.7 tpp -82.49 106.42 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -84.25 117.4 23.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.605 HG11 ' O ' ' B' ' 125' ' ' ALA . 39.2 t -117.46 97.75 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -93.78 -168.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -39.05 -58.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.04 65.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.4 m -160.08 137.44 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.744 HG21 HG13 ' B' ' 126' ' ' VAL . 40.1 t -125.98 96.39 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.642 HG23 ' HG3' ' B' ' 79' ' ' GLU . 26.5 m -111.05 147.25 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.519 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 77.7 t -116.74 99.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 17.8 mt -94.19 147.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.693 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.5 OUTLIER -56.91 130.32 45.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.41 -53.56 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -65.06 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.41 122.39 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -4.2 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.3 29.76 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -126.56 89.87 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.427 HG23 ' CG2' ' B' ' 66' ' ' THR . 12.5 p -64.98 147.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.693 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.5 mt -120.3 -52.9 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 t -138.35 139.91 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.642 ' HG3' HG23 ' B' ' 66' ' ' THR . 5.1 tt0 -125.87 95.68 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.626 ' SG ' HD12 ' B' ' 85' ' ' LEU . 22.7 t -95.28 88.93 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.511 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 1.4 mpt_? -63.73 112.26 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -40.71 -44.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -57.57 -44.84 85.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.511 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 14.0 m-30 -75.9 -30.99 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.626 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.7 OUTLIER -49.29 131.19 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 -60.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' B' ' 88' ' ' MET . 12.2 t80 -138.68 163.8 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.643 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.5 OUTLIER -169.91 131.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.67 -151.08 5.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.515 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -127.56 167.17 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.515 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -87.46 -106.59 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.99 -31.78 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.04 147.02 33.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.465 ' HB ' HD22 ' A' ' 11' ' ' LEU . 11.7 m -77.07 -3.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.631 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 6.1 m80 -77.02 -23.32 52.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.0 p -96.22 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' B' ' 126' ' ' VAL . 25.0 t80 -155.87 112.65 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' B' ' 111' ' ' HIS . . . -110.69 169.83 8.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' B' ' 99' ' ' PHE . 5.3 p90 -163.41 141.5 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -94.62 129.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.6 ptm -125.49 148.43 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -100.9 103.12 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 64.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.12 -161.42 29.36 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -50.59 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 2.5 mp0 -122.68 0.85 9.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.1 OUTLIER -57.4 153.95 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.3 m-85 -140.97 141.21 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -124.31 133.33 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.454 ' HB2' HG11 ' B' ' 28' ' ' VAL . 53.6 t -107.76 110.99 22.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.455 ' O ' ' HB1' ' B' ' 98' ' ' ALA . 97.4 m-70 -100.64 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.635 HG12 HD13 ' B' ' 23' ' ' LEU . 5.1 t -143.77 152.97 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 25.6 m-85 -148.82 156.47 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -106.73 116.35 31.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.44 151.23 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.7 OUTLIER -135.51 128.68 18.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.631 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -59.76 0.11 OUTLIER 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 0.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -101.3 177.16 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.49 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -102.65 43.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 1.101 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -86.03 -31.66 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -89.7 -17.53 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.693 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.2 t -87.18 -71.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.557 ' N ' HG12 ' B' ' 122' ' ' VAL . 18.6 p -45.26 -32.56 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' B' ' 127' ' ' GLN . 27.2 tp10 -68.58 -60.3 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.641 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -48.75 -24.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.744 HG13 HG21 ' B' ' 65' ' ' VAL . 4.4 t -93.22 -31.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' B' ' 124' ' ' GLU . 0.0 OUTLIER -74.84 -26.98 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.446 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -88.28 -16.64 32.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.39 -45.64 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.414 ' HA ' HG22 ' B' ' 82' ' ' VAL . 3.5 m -46.02 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m -165.58 -57.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.36 168.73 44.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.39 104.54 16.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.55 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.96 153.07 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 46.34 84.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.628 HG13 ' N ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -156.98 -171.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.628 ' N ' HG13 ' A' ' 4' ' ' VAL . 1.3 m -71.51 141.8 85.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.567 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -27.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.683 ' HG3' ' HB1' ' B' ' 120' ' ' ALA . 0.4 OUTLIER -76.87 -29.15 55.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -81.02 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -50.13 -32.03 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -64.11 -35.57 81.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' B' ' 120' ' ' ALA . 66.9 mt -81.3 -44.73 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.26 -34.18 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -68.05 -35.65 78.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.1 mtt -84.11 -11.64 56.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -78.61 -35.99 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.6 OUTLIER -115.04 -84.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' GLN . 9.7 m120 -39.95 -54.13 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.46 -144.25 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -165.02 136.09 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -126.8 97.82 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.483 ' CG ' HG22 ' A' ' 23' ' ' THR . 48.7 t30 -41.63 108.48 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.32 3.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.483 HG22 ' CG ' ' A' ' 21' ' ' ASN . 3.8 t -172.97 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 10.7 t80 -36.99 -53.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.6 96.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.21 146.2 19.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 54.6 98.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -113.18 -62.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 69.95 96.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 134.94 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -72.66 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -169.4 86.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.004 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -139.37 147.82 42.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.83 87.34 0.66 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -133.48 130.51 38.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -143.66 116.71 8.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 145.89 14.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.04 40.53 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.9 128.95 39.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.79 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -86.05 173.99 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.0 m -68.66 146.45 52.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -145.56 158.16 43.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' B' ' 14' ' ' LEU . 3.9 mm? -64.95 120.8 13.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t -116.33 150.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -57.58 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 18' ' ' PHE . 41.5 mttt 69.18 148.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.42 ' O ' HG13 ' B' ' 20' ' ' VAL . 59.6 m-85 -161.91 104.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -70.63 110.3 5.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.487 HG11 ' SG ' ' B' ' 115' ' ' CYS . 2.5 m -136.25 -165.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.472 ' N ' HG23 ' B' ' 20' ' ' VAL . 2.0 tt0 -109.08 171.26 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.41 106.84 9.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.744 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -65.64 -39.48 91.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.54 17.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.404 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -99.96 128.24 46.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.95 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.63 134.04 23.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.95 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 148.25 34.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.79 -167.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -60.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -86.39 152.45 55.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.14 13.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.7 158.73 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.34 136.06 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.55 -49.99 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 111.023 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -39.24 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.8 m -62.17 -33.42 74.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -72.75 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -40.65 -53.32 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -48.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.32 -67.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' B' ' 45' ' ' MET . 13.6 mt -43.76 -46.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.441 ' O ' HG22 ' B' ' 46' ' ' THR . 4.1 mt-10 -63.81 -37.19 86.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.6 OUTLIER -67.44 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' B' ' 112' ' ' VAL . 34.6 mt -50.5 -36.11 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.2 mmt -53.74 -42.24 67.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.441 HG22 ' O ' ' B' ' 42' ' ' GLU . 1.9 t -100.48 -8.94 22.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' ' O ' ' B' ' 43' ' ' ASN . 1.1 t -74.12 -52.77 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -126.09 171.17 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 38.9 m -87.21 -172.96 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -83.46 -37.06 23.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.9 -29.57 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.61 -41.27 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.2 m0 -53.71 109.03 1.29 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.53 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -75.37 131.18 40.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 171.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -119.17 108.63 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.415 ' SD ' HG13 ' B' ' 65' ' ' VAL . 18.0 tpp -82.31 99.18 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -78.67 133.16 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.545 HG11 ' O ' ' B' ' 125' ' ' ALA . 20.0 t -136.87 107.18 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.57 -150.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.954 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.52 66.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 51.3 m -158.94 133.7 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.82 HG21 HG13 ' B' ' 126' ' ' VAL . 78.1 t -120.96 99.15 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.57 HG23 ' HG3' ' B' ' 79' ' ' GLU . 40.1 m -115.08 134.46 55.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.658 HG21 ' CE2' ' B' ' 113' ' ' PHE . 44.6 t -105.13 102.88 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -96.27 149.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.555 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.9 OUTLIER -58.25 122.29 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.89 -59.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -60.8 119.05 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.92 -7.94 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.4 26.94 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -133.89 100.32 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.11 152.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' B' ' 69' ' ' SER . 42.2 mt -118.94 -51.97 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.79 137.47 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.57 ' HG3' HG23 ' B' ' 66' ' ' THR . 6.0 tt0 -120.97 94.57 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.1 t -99.37 88.54 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' B' ' 84' ' ' PHE . 7.8 mmt85 -69.66 114.09 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.954 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.26 -39.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 9.3 m-85 -71.78 -38.68 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.45 143.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.267 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.537 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 3.1 p -119.21 -51.98 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.963 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -137.31 157.01 47.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.536 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.26 141.27 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.86 -149.17 7.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.549 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.9 m -127.82 171.33 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.549 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -101.03 -107.5 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -99.04 -29.55 12.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.407 ' O ' ' OG1' ' B' ' 96' ' ' THR . 0.4 OUTLIER -119.98 111.21 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' B' ' 95' ' ' HIS . 9.7 m -40.39 -42.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' B' ' 94' ' ' VAL . 2.0 m80 -38.7 -35.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.0 p -91.05 130.53 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.49 ' HB2' ' CB ' ' B' ' 119' ' ' ALA . 40.7 t80 -129.85 113.06 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.701 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -109.05 165.9 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.615 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.0 p90 -164.87 142.62 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -94.55 129.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 26.5 ptm -119.98 147.71 44.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -90.77 114.47 26.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -91.77 60.52 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.37 -97.19 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -55.61 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.605 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 13.3 mt-30 -66.08 -14.01 61.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.43 138.14 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.605 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 16.3 m-85 -134.8 134.9 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 156.17 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 35.3 t -114.73 152.06 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.584 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.8 m-70 -140.47 109.83 6.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.744 HG12 HD13 ' B' ' 23' ' ' LEU . 37.0 t -93.8 162.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' B' ' 67' ' ' VAL . 33.8 m-85 -151.92 174.11 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.518 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 26.6 t-105 -132.89 94.16 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.52 ' SG ' HG11 ' B' ' 122' ' ' VAL . 14.7 m -94.79 161.2 14.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 10.8 mt-10 -137.21 134.05 18.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.05 -54.91 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.999 0.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -112.92 169.21 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' B' ' 122' ' ' VAL . . . -91.32 27.38 1.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.992 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -69.42 -33.22 72.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -79.18 -38.55 35.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.966 ' O ' HG23 ' B' ' 126' ' ' VAL . 0.9 OUTLIER -74.93 -51.08 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.534 ' N ' ' CG2' ' B' ' 122' ' ' VAL . 98.3 p -56.47 -39.48 73.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.7 -36.3 73.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.545 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -71.95 -22.93 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.966 HG23 ' O ' ' B' ' 122' ' ' VAL . 19.9 t -93.28 -45.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.421 ' HB2' ' HE3' ' A' ' 14' ' ' MET . 32.7 tt0 -62.72 -41.52 99.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.89 -23.11 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 125' ' ' ALA . . . -68.25 -41.67 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.824 ' SG ' HG22 ' B' ' 82' ' ' VAL . 12.8 m -56.17 -39.98 73.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 29.4 t -168.28 -69.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.28 168.6 44.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.29 128.85 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 96.7 p -161.4 132.43 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.5 121.9 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.34 156.09 16.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -100.55 -174.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.528 HG22 ' HD2' ' A' ' 6' ' ' PRO . 7.2 m -80.53 143.24 54.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.528 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.0 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.794 ' OE1' ' HB1' ' B' ' 120' ' ' ALA . 6.6 tp10 -52.36 -22.07 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -90.97 -45.5 8.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -38.73 75.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -65.68 -30.35 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' B' ' 120' ' ' ALA . 81.0 mt -84.76 -56.22 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 19.6 m -43.37 -33.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.1 mtt -72.42 -28.9 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -53.3 -32.77 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -127.29 -82.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.475 ' C ' ' O ' ' A' ' 16' ' ' GLN . 4.7 m120 -34.51 -44.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.2 -170.95 46.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.518 ' CE1' ' HE2' ' B' ' 88' ' ' MET . 53.4 t80 -137.69 129.3 28.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' OE2' HG11 ' B' ' 32' ' ' VAL . 0.2 OUTLIER -120.82 103.33 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.495 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.3 OUTLIER -47.5 108.52 0.9 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.419 ' HD2' HD21 ' A' ' 21' ' ' ASN . 18.3 Cg_endo -74.99 73.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.495 HG22 ' ND2' ' A' ' 21' ' ' ASN . 1.5 t -162.22 -43.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -39.93 113.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.92 107.31 9.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.2 -48.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -87.35 -173.85 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -166.21 76.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -132.47 159.4 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.8 mtm -113.1 130.24 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -29.53 63.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m 61.51 126.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 158.27 4.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.73 154.41 9.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.79 152.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.65 163.94 10.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 114.22 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.96 32.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -121.17 154.2 58.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -175.39 2.33 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 136.22 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -118.22 148.63 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -123.16 118.8 28.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 70.55 133.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' B' ' 61' ' ' ALA . 22.1 t -139.71 156.81 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -39.09 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 63.42 151.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 24.3 m-85 -159.17 94.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -71.11 100.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.87 -165.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.1 tt0 -104.3 170.74 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 106.09 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.646 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -68.12 -35.04 77.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.91 -170.71 18.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.0 ttp -107.2 130.67 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.999 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -119.69 134.24 23.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.999 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 146.1 32.28 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.437 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 16.4 m -137.81 165.75 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.47 -51.65 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -99.31 153.95 37.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.59 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.2 Cg_endo -75.0 -25.02 12.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.469 HG11 ' OE2' ' A' ' 20' ' ' GLU . 23.4 m -130.72 164.4 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.52 125.8 2.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -30.48 68.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.83 -32.22 70.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.437 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 98.3 m -76.35 -51.7 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.4 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -42.2 -50.04 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -50.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -59.25 -68.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.529 HD13 ' N ' ' B' ' 91' ' ' GLY . 20.9 mt -39.85 -49.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.439 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -57.75 -70.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.7 mt -45.53 -51.82 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.411 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.1 mmt -36.91 -61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.405 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.0 t -75.88 -40.66 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 46' ' ' THR . 1.9 t -39.02 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -106.04 -176.38 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.508 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 50.3 m -95.33 -174.18 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.59 -36.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.93 -19.82 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -37.34 77.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.59 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 8.6 m0 -57.05 110.49 2.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.3 37.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -85.35 133.11 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.35 168.55 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -118.1 107.31 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 ttm -83.76 103.7 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -79.33 128.87 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.521 HG11 ' HB1' ' B' ' 125' ' ' ALA . 26.2 t -131.89 106.67 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -105.86 -154.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.44 -59.29 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.897 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -152.53 67.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 19.9 m -158.01 136.91 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.703 HG21 HG13 ' B' ' 126' ' ' VAL . 53.1 t -125.71 96.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.557 HG23 ' HG3' ' B' ' 79' ' ' GLU . 21.6 m -111.17 145.34 38.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.454 HG12 HD12 ' B' ' 77' ' ' LEU . 83.1 t -110.77 99.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.746 HG23 ' O ' ' B' ' 75' ' ' GLU . 46.7 mt -95.94 144.57 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.746 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -56.22 127.09 29.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -61.97 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.92 118.76 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.419 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.8 OUTLIER -84.98 -9.47 58.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 25.34 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.746 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.7 OUTLIER -122.81 108.17 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.473 ' O ' HD23 ' B' ' 77' ' ' LEU . 90.4 t -79.49 149.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.746 HD11 ' HA ' ' B' ' 69' ' ' SER . 17.4 mt -123.2 -49.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -141.0 142.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.557 ' HG3' HG23 ' B' ' 66' ' ' THR . 2.7 tt0 -124.06 97.14 5.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.7 ' SG ' HD12 ' B' ' 85' ' ' LEU . 10.5 t -96.83 99.06 10.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 0.8 OUTLIER -81.86 114.05 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.897 HG21 ' HB1' ' B' ' 63' ' ' ALA . 35.8 m -40.31 -33.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -50.47 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 20.2 m-85 -77.91 -19.13 55.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.7 HD12 ' SG ' ' B' ' 80' ' ' CYS . 1.4 tt -63.58 136.71 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -111.4 -65.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.511 ' HB3' HD12 ' B' ' 100' ' ' ILE . 7.5 t80 -120.14 154.62 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.524 ' HB3' HD21 ' B' ' 85' ' ' LEU . 0.0 OUTLIER -168.54 119.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 -138.1 2.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.543 HG23 ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -136.95 167.77 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.543 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -91.62 -99.84 1.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -104.71 -32.97 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.523 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -107.03 140.17 40.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.5 m -73.36 -24.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.523 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 2.9 m80 -60.29 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -103.03 157.15 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.68 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 38.7 t80 -158.38 118.14 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.736 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -122.5 163.82 19.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.1 p90 -157.3 141.48 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.59 HG21 ' HA ' ' B' ' 31' ' ' PRO . 4.6 mt -95.06 124.76 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -120.54 142.93 48.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.38 102.48 14.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.96 59.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 157.74 -167.73 34.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.75 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.574 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 41.2 mt-30 -138.02 12.58 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -60.36 146.68 43.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.574 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 13.1 m-85 -136.11 123.92 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -121.28 132.45 54.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 51.4 t -105.65 117.0 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.326 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 91.5 m-70 -110.24 112.8 24.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.736 HG22 ' HB2' ' B' ' 98' ' ' ALA . 33.0 t -92.65 164.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 59.1 m-85 -155.89 155.57 33.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -111.99 107.59 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.5 m -103.84 151.96 22.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 53.2 mt-10 -134.14 134.38 22.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.029 -0.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.455 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.4 p30 -107.31 169.59 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.94 41.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.819 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -75.04 -42.91 56.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -74.27 -49.59 22.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.792 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -53.64 -66.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.427 ' N ' HG12 ' B' ' 122' ' ' VAL . 58.8 p -44.04 -52.9 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.64 -54.11 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.533 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.74 -29.62 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.792 HG23 ' O ' ' B' ' 122' ' ' VAL . 6.1 t -90.01 -37.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.406 ' HA ' ' HE3' ' B' ' 88' ' ' MET . 0.0 OUTLIER -57.84 -38.07 74.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.99 -22.27 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.526 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -74.02 -25.75 60.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 56.3 m -81.47 -3.95 54.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.95 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 141.08 163.01 9.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.3 87.75 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.42 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.02 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.29 108.7 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.63 152.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 8' ' ' GLU . 4.3 t -101.6 146.63 32.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 56.81 4.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.594 ' CD ' ' HB1' ' B' ' 120' ' ' ALA . 8.8 tp10 -158.21 -54.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' H ' HG23 ' A' ' 5' ' ' THR . 1.2 tm-20 -51.45 -26.52 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.73 -42.0 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -68.19 -38.89 82.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.962 HD11 ' HB2' ' B' ' 120' ' ' ALA . 83.2 mt -73.67 -67.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 11' ' ' LEU . 46.4 t -38.19 -35.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -71.28 -55.17 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -52.62 -21.07 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG2' HG22 ' B' ' 90' ' ' VAL . 6.0 mt-30 -69.93 -42.82 72.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' B' ' 34' ' ' MET . 4.7 mt-30 -103.86 -84.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLN . 6.1 m120 -39.27 -53.91 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.7 -162.63 49.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 65.3 t80 -139.26 130.75 27.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.53 119.12 32.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.503 HD22 ' HB3' ' B' ' 130' ' ' CYS . 0.1 OUTLIER -80.02 117.91 69.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.422 ' HD2' HD21 ' A' ' 21' ' ' ASN . 18.2 Cg_endo -74.95 -39.5 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -40.16 -39.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 7.6 t80 -49.58 159.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.72 159.16 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -178.74 39.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -71.65 96.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -130.37 171.62 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -163.73 75.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.3 -56.33 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 64.1 -179.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.31 164.95 5.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 0.731 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.86 164.46 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.99 -156.49 7.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -179.88 134.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -138.22 165.39 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.93 98.5 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 172.26 16.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 54.1 p -138.77 156.98 72.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.53 16.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.519 ' O ' HG22 ' B' ' 12' ' ' THR . 4.3 mttm -128.69 144.41 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 11' ' ' LYS . 9.3 t 44.54 -167.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' OG1' ' B' ' 12' ' ' THR . 4.5 tt0 -118.53 139.48 51.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 14' ' ' LEU . 0.3 OUTLIER 63.08 119.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -120.16 150.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -60.28 -50.38 73.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 56.3 mttt 59.39 154.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' B' ' 17' ' ' LYS . 73.4 m-85 -161.96 103.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 110.81 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.419 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.6 m -140.1 -167.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.437 ' CB ' ' HB3' ' B' ' 114' ' ' TRP . 1.1 tt0 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.81 118.44 27.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.7 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -79.21 -32.91 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.85 -169.56 15.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.457 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -106.13 125.27 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.12 133.76 22.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.06 158.3 42.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -144.75 -177.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.17 -45.09 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -104.77 154.36 38.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.26 4.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.698 HG12 ' HB2' ' B' ' 87' ' ' PHE . 34.6 m -124.64 165.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.31 125.65 2.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -70.68 -22.22 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -36.18 50.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -69.53 -51.8 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.544 HD21 ' C ' ' B' ' 89' ' ' GLY . 2.8 tp -50.76 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -47.71 -48.35 29.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.28 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' B' ' 45' ' ' MET . 25.1 mt -40.41 -50.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.7 -43.31 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.55 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -59.46 -70.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.626 ' HG ' HD23 ' B' ' 26' ' ' LEU . 22.2 mt -46.33 -50.12 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.5 mmt -36.57 -57.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -81.24 -36.83 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -40.73 -67.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -109.87 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 74.8 m -95.29 -178.49 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.97 -38.94 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.37 -31.93 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.51 -43.29 99.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.605 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 26.3 m0 -48.37 105.83 0.54 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.01 36.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.27 145.42 35.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.79 -176.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -128.8 110.47 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.536 ' HG2' HG23 ' B' ' 60' ' ' VAL . 22.7 ttm -82.85 105.71 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -80.96 116.14 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.536 HG23 ' HG2' ' B' ' 58' ' ' MET . 40.6 t -120.77 98.67 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -98.73 -163.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 2.6 t0 -40.42 -49.07 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 1.014 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -161.64 68.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 20.8 m -160.31 125.85 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.682 HG21 HG13 ' B' ' 126' ' ' VAL . 53.5 t -116.53 95.75 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.808 HG23 ' HG3' ' B' ' 79' ' ' GLU . 20.9 m -114.38 144.73 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.592 HG21 ' HZ ' ' B' ' 113' ' ' PHE . 94.0 t -110.02 97.59 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.5 HG23 ' O ' ' B' ' 75' ' ' GLU . 38.6 mt -94.67 142.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.665 ' HA ' HD11 ' B' ' 77' ' ' LEU . 2.2 t -51.59 142.92 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -56.98 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -59.44 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -81.56 121.28 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.464 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.0 OUTLIER -92.25 -1.45 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.77 11.3 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.5 ' O ' HG23 ' B' ' 68' ' ' ILE . 1.3 tt0 -118.72 107.58 13.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.625 HG13 HG22 ' B' ' 66' ' ' THR . 51.0 t -75.24 157.89 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' B' ' 69' ' ' SER . 17.9 mt -126.76 -48.28 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -143.26 145.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.808 ' HG3' HG23 ' B' ' 66' ' ' THR . 0.9 OUTLIER -128.71 110.02 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.6 t -114.08 88.65 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.4 mpt_? -71.59 123.04 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 1.014 HG21 ' HB1' ' B' ' 63' ' ' ALA . 10.9 m -43.47 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' B' ' 81' ' ' ARG . 71.8 mmt-85 -68.71 -46.6 68.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 12.1 m-85 -78.04 -39.74 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.569 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.11 128.23 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.551 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 5.7 p -99.02 -58.13 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.698 ' HB2' HG12 ' B' ' 32' ' ' VAL . 71.1 t80 -145.03 153.03 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.777 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.4 OUTLIER -155.3 139.63 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLY . . . . . 0.544 ' C ' HD21 ' B' ' 37' ' ' LEU . . . -166.52 -163.38 20.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.498 HG22 ' HG2' ' A' ' 15' ' ' GLN . 2.0 m -121.06 163.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.406 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -92.0 -131.33 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.54 -22.63 50.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.16 139.1 52.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.03 -17.0 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -68.05 -12.63 61.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.637 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 62.3 p -111.66 132.88 54.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.51 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 64.0 t80 -131.41 119.1 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.597 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -118.03 166.81 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.602 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.5 p90 -161.44 148.06 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.407 HG22 ' OG ' ' B' ' 86' ' ' SER . 3.4 mt -100.03 138.66 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.51 ' SD ' HG23 ' B' ' 103' ' ' THR . 2.3 ppp? -131.28 159.37 38.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -107.86 106.01 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.51 HG23 ' SD ' ' B' ' 101' ' ' MET . 4.6 p -75.37 -66.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.16 -112.84 2.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' B' ' 106' ' ' GLN . 7.6 p30 -64.58 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.64 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 90.1 mt-30 -52.57 -19.65 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 139.07 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.64 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 19.3 m-85 -139.02 145.25 39.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.23 145.11 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.8 t -116.52 118.05 31.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.56 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.7 m-70 -109.21 123.81 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.7 HG12 HD13 ' B' ' 23' ' ' LEU . 17.6 t -104.48 165.97 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.592 ' HZ ' HG21 ' B' ' 67' ' ' VAL . 53.2 m-85 -153.6 163.57 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.513 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 45.3 t-105 -118.56 105.62 11.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.36 159.88 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 4.3 mt-10 -141.73 130.33 12.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -62.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.013 -0.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -96.94 176.16 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -104.84 38.07 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.962 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -74.09 -53.85 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.57 -40.17 96.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.581 HG12 ' N ' ' B' ' 123' ' ' SER . 2.1 t -66.05 -71.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.581 ' N ' HG12 ' B' ' 122' ' ' VAL . 72.6 m -45.93 -29.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 37.3 tp10 -74.56 -52.03 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.514 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -53.68 -24.35 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.777 HG12 ' HE1' ' B' ' 88' ' ' MET . 11.9 t -93.37 -39.84 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.48 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.7 30.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.81 -51.43 64.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.503 ' HB3' HD22 ' A' ' 21' ' ' ASN . 59.7 m -54.57 -50.36 68.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 6.3 m -171.65 -61.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.06 168.45 43.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -39.08 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.7 m 60.9 149.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 70.4 p -163.74 153.73 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.05 112.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -41.14 151.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.5 p -99.91 158.17 32.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.22 -58.32 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.98 -26.8 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -43.79 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -55.82 -21.5 19.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.607 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.046 HD11 ' HB2' ' B' ' 120' ' ' ALA . 18.1 mt -98.29 -50.34 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 22.8 t -41.89 -31.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 19.9 pttt -80.35 -49.78 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.425 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 1.6 mtt -59.53 -12.26 6.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' B' ' 90' ' ' VAL . 10.7 mt-30 -74.17 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -106.2 -42.35 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' LYS . 15.6 m-80 -73.73 -8.45 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 35.47 -151.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 90.1 t80 -161.46 137.5 8.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.03 108.38 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' CG ' HG22 ' A' ' 23' ' ' THR . 35.9 t-20 -52.7 109.11 1.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.28 4.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' CG ' ' A' ' 21' ' ' ASN . 5.7 t -170.92 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.465 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 11.6 t80 -37.26 -47.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 12.7 tmtt? 54.71 97.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -172.27 133.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.29 175.54 11.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 64.21 137.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -153.29 148.28 26.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.19 53.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 39.86 48.59 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -89.15 83.14 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -82.07 -59.22 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.58 1.52 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -132.83 157.69 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -113.77 109.24 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.11 0.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 76.8 p -42.16 144.89 0.83 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.3 Cg_endo -75.05 60.36 5.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -69.2 158.2 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 67.5 m 64.37 147.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.23 168.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.983 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -126.13 144.89 50.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.746 ' N ' HD22 ' B' ' 14' ' ' LEU . 54.2 t -103.61 150.55 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -61.41 -50.06 74.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 16' ' ' GLN . 56.5 mttt 60.85 148.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 77.1 m-85 -157.55 104.98 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 118.58 14.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.515 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -147.76 -162.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.515 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 mt-30 -112.66 169.09 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.73 99.76 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.443 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -61.06 -36.46 79.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.44 -175.23 18.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttp -103.45 131.05 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 1.03 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.91 133.58 23.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 1.03 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 144.59 30.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.48 -165.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.51 -57.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -80.11 151.26 72.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.66 6.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 m -136.27 149.51 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.37 123.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.515 ' HE1' ' O ' ' B' ' 90' ' ' VAL . 0.0 OUTLIER -71.62 -23.22 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.79 -24.01 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -81.01 -46.98 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' B' ' 40' ' ' ALA . 2.6 tp -59.07 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -46.15 -48.31 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 37' ' ' LEU . . . -80.33 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.533 HD13 ' N ' ' B' ' 91' ' ' GLY . 9.4 mt -40.78 -41.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.429 ' O ' HG22 ' B' ' 46' ' ' THR . 8.2 mt-10 -69.8 -50.7 40.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -60.28 3.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.594 ' HG ' HD23 ' B' ' 26' ' ' LEU . 54.0 mt -53.04 -52.79 57.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mmt -39.31 -65.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.44 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.1 t -67.83 -46.9 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 46' ' ' THR . 40.8 t -35.89 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -95.39 -176.79 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.524 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 57.2 m -96.59 -178.3 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.083 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.97 -39.09 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.91 -26.87 49.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.29 -31.4 70.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.607 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 9.5 m0 -63.53 112.31 6.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 168.03 25.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -94.42 131.38 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.19 -175.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -132.24 107.38 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.0 ttm -83.03 105.08 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -85.62 128.69 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.707 HG11 ' O ' ' B' ' 125' ' ' ALA . 21.9 t -132.2 101.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -104.83 -149.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -37.09 -84.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -135.15 65.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -157.65 144.06 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.697 HG21 HG13 ' B' ' 126' ' ' VAL . 38.4 t -128.39 100.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.51 HG23 ' HG3' ' B' ' 79' ' ' GLU . 50.8 m -113.81 129.92 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 23.5 t -101.54 103.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mt -99.49 155.54 4.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.609 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -60.44 146.02 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -55.32 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.89 -77.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 1.5 m120 -40.75 -68.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 2.5 tt0 85.96 -13.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -122.69 11.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -108.86 95.02 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.436 HG23 ' CG2' ' B' ' 66' ' ' THR . 13.1 p -54.28 138.12 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' B' ' 69' ' ' SER . 12.9 mt -117.08 -57.61 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.19 126.18 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.51 ' HG3' HG23 ' B' ' 66' ' ' THR . 9.7 tt0 -112.27 94.02 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.5 t -96.98 91.27 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.574 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 12.4 mmt180 -69.37 124.29 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -55.34 -19.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -81.4 -27.08 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.604 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 21.2 m-85 -98.56 -32.51 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.75 135.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.479 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 89.8 p -102.55 -66.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.043 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' B' ' 88' ' ' MET . 57.0 t80 -135.54 165.19 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' B' ' 130' ' ' CYS . 0.0 OUTLIER -169.7 134.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.63 -161.47 10.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.515 ' O ' ' HE1' ' B' ' 34' ' ' MET . 1.8 m -126.69 146.76 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.533 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -69.42 -136.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -81.52 -6.4 58.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.22 137.51 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.573 ' O ' ' HB3' ' B' ' 119' ' ' ALA . 17.3 m -68.89 -22.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -61.08 -21.25 63.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 68.0 p -104.07 134.46 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.584 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 48.2 t80 -134.59 115.52 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.476 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -112.46 171.54 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.575 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.1 p90 -169.79 146.2 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.0 mt -95.12 148.84 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 ptm -141.8 151.55 42.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -109.48 102.3 11.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 10.4 p -79.41 -32.58 42.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.78 149.4 7.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 54.62 -171.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.588 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 36.4 mt-30 -62.09 -11.78 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -56.52 139.34 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.588 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 17.3 m-85 -139.15 132.67 30.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.3 147.4 35.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -119.68 135.4 54.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' B' ' 98' ' ' ALA . 42.9 m80 -121.5 161.45 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.569 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.3 t -144.71 151.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' B' ' 67' ' ' VAL . 12.7 m-85 -145.41 161.96 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -115.07 109.62 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.049 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' B' ' 122' ' ' VAL . 23.1 m -95.07 162.16 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.255 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.427 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.2 mt-10 -141.12 125.11 10.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -63.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.989 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -93.54 171.02 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' B' ' 94' ' ' VAL . . . -101.23 44.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 1.046 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -81.41 -59.22 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -57.03 -30.67 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -75.1 -65.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.584 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 37.3 m -51.0 -37.2 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.41 -53.52 23.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.707 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -54.4 -20.64 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 122' ' ' VAL . 14.7 t -93.34 -45.33 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -40.53 97.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.6 63.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.17 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 53.5 m -51.86 -49.02 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.23 -58.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 168.47 43.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.5 3.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 59.7 p -104.56 153.17 21.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -56.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.78 148.39 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.43 84.14 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 m -61.45 -159.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 51.2 m -78.45 143.43 64.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.0 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.427 ' OE2' ' HB1' ' B' ' 120' ' ' ALA . 6.7 tp10 -58.19 -43.46 87.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 11' ' ' LEU . 3.8 tp10 -63.69 -51.35 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -47.55 16.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.07 -35.3 66.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' B' ' 94' ' ' VAL . 95.2 mt -80.1 -52.18 8.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -44.02 -27.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.01 -55.6 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.54 -13.36 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -79.31 -10.23 59.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -157.71 -75.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -41.6 -28.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 52.97 -173.4 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -136.09 139.4 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.39 118.13 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 1.7 t-20 -64.86 117.38 38.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.37 8.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -58.84 -43.33 90.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 9.2 t80 -47.33 -55.39 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.72 82.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -76.41 107.86 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.5 173.27 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.78 59.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -150.2 121.68 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -111.49 96.48 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' C ' ' O ' ' A' ' 30' ' ' MET . 3.6 pp0? 28.96 45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' MET . 47.9 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -177.54 146.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -163.97 166.63 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.21 143.48 3.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 115.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.33 149.66 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.95 99.47 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.74 24.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -82.7 124.55 77.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.54 24.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -139.19 116.98 11.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.7 p -132.71 159.31 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -130.82 116.52 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 69.41 130.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.655 HG22 ' HB2' ' B' ' 61' ' ' ALA . 20.4 t -141.56 157.53 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -39.54 20.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 63.2 151.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.64 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 31.9 m-85 -159.31 95.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 107.45 4.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.35 -167.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.54 168.84 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.69 117.12 24.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.476 ' O ' HD22 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -79.91 -40.64 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.15 -174.27 20.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ttp -104.65 127.59 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 1.004 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.81 133.78 23.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 1.004 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -75.02 156.42 42.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' B' ' 110' ' ' CYS . 16.7 m -144.84 -163.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -61.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -86.38 154.31 56.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.423 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.4 Cg_endo -74.98 -17.8 19.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.83 178.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.84 126.39 3.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.77 80.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.93 -44.71 96.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.6 m -55.43 -25.93 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.08 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' SER . 5.1 m-80 -41.98 -47.72 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' ASN . 5.9 t -38.64 -52.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.63 -67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.489 HG12 HG13 ' B' ' 112' ' ' VAL . 6.1 mt -43.31 -54.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -54.04 -40.09 66.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -70.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.665 ' HG ' HD23 ' B' ' 26' ' ' LEU . 17.6 mt -47.7 -46.52 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -37.58 -40.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -104.46 -32.55 8.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -39.95 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m -131.36 168.65 17.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 52.7 m -97.16 168.73 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.577 ' HD3' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.26 -39.56 68.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.09 -16.37 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.03 -44.32 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.577 ' CE3' ' HD3' ' B' ' 50' ' ' LYS . 27.0 m0 -45.61 107.05 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.74 19.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.1 p -92.64 133.63 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.7 -177.25 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' B' ' 70' ' ' GLU . 17.1 m-20 -132.15 112.81 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.4 ttm -91.62 105.74 17.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -83.68 125.63 32.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.534 HG11 ' O ' ' B' ' 125' ' ' ALA . 24.6 t -127.05 106.53 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.655 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -106.29 -155.32 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -40.94 -66.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.974 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -147.5 68.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -158.56 144.4 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.443 HG21 HG13 ' B' ' 126' ' ' VAL . 38.9 t -132.18 100.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.75 HG23 ' HG3' ' B' ' 79' ' ' GLU . 28.2 m -117.22 140.15 49.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.547 HG12 HD12 ' B' ' 77' ' ' LEU . 65.9 t -106.98 100.37 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.479 HG23 ' O ' ' B' ' 75' ' ' GLU . 40.3 mt -95.76 142.46 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.768 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -52.14 143.98 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' OD1' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.68 -56.53 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.8 -67.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' B' ' 69' ' ' SER . 42.1 m-20 -94.42 124.49 38.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.78 40.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -44.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.479 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.2 OUTLIER -62.03 113.76 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.449 ' O ' HD23 ' B' ' 77' ' ' LEU . 73.0 t -77.83 152.54 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' B' ' 69' ' ' SER . 18.3 mt -121.78 -52.56 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -140.12 143.52 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.75 ' HG3' HG23 ' B' ' 66' ' ' THR . 0.7 OUTLIER -127.76 96.78 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.677 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.5 t -98.67 89.96 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.481 ' CZ ' ' HG2' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -64.0 113.72 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.974 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -44.78 -27.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.9 OUTLIER -72.07 -43.73 64.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.2 m-30 -75.82 -38.7 57.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.677 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -39.39 151.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -128.33 -55.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' B' ' 100' ' ' ILE . 11.3 t80 -129.96 158.14 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.711 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.83 132.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.35 -150.95 6.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.148 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.473 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -129.16 166.03 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.473 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -84.35 -101.86 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -109.49 -22.68 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.04 146.95 41.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.71 ' HB ' HD13 ' A' ' 11' ' ' LEU . 3.3 m -79.47 -3.78 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 22.0 m80 -76.87 -24.93 52.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 43.3 p -98.5 161.15 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 29.6 t80 -158.51 113.16 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -111.88 173.09 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.57 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -169.61 143.68 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.5 mt -95.18 131.18 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.5 ptm -119.37 140.76 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -90.59 109.27 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.699 HG21 ' OE1' ' B' ' 109' ' ' GLU . 31.0 p -90.15 48.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.32 -91.46 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' B' ' 107' ' ' ARG . 1.9 m-20 -49.5 157.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.601 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 0.4 OUTLIER -43.32 -26.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' B' ' 105' ' ' ASN . 0.8 OUTLIER -56.18 139.73 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 14.4 m-85 -132.37 140.78 48.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' GLU . . . . . 0.699 ' OE1' HG21 ' B' ' 103' ' ' THR . 1.5 mt-10 -112.39 151.32 29.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.455 ' HB2' HG11 ' B' ' 28' ' ' VAL . 13.4 t -118.36 152.72 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' B' ' 98' ' ' ALA . 51.3 m80 -135.88 164.53 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.604 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 4.6 t -148.61 152.24 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 14.9 m-85 -148.19 161.26 41.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -114.1 111.05 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -107.35 152.36 24.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 108.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.8 134.11 20.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.568 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -74.98 -54.93 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.0 0.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.588 ' CB ' HG23 ' B' ' 94' ' ' VAL . 16.4 p30 -107.9 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -103.06 32.2 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.599 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -67.23 -32.28 73.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -83.74 -49.32 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.785 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -56.39 -61.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.8 p -52.05 -37.8 54.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.9 -56.4 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.64 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -49.23 -24.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.785 HG23 ' O ' ' B' ' 122' ' ' VAL . 20.9 t -93.68 -39.57 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -63.88 -33.41 75.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.07 -26.9 33.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.438 ' CB ' HG21 ' B' ' 82' ' ' VAL . . . -68.04 -49.72 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 3.1 m -48.7 -46.13 40.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.02 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.01 168.08 42.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 67.0 m -39.86 111.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.3 t -130.97 132.62 45.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.29 -63.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.26 116.5 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.6 t -73.96 154.93 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.598 HG23 ' HD2' ' A' ' 6' ' ' PRO . 17.3 m -81.3 143.9 52.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.06 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.635 ' CD ' ' HB1' ' B' ' 120' ' ' ALA . 7.7 tp10 -51.78 -51.76 53.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -52.08 55.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -45.8 -61.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -42.33 -46.87 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' B' ' 120' ' ' ALA . 21.5 mt -67.97 -54.59 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.404 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.18 -26.61 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.39 69.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mtt -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.63 -28.57 47.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.85 -83.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.9 m120 -36.52 -47.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.93 -177.28 31.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -125.96 135.64 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.53 101.66 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.663 HD21 ' HD2' ' A' ' 22' ' ' PRO . 0.1 OUTLIER -55.54 118.33 18.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.663 ' HD2' HD21 ' A' ' 21' ' ' ASN . 18.3 Cg_endo -74.99 -32.19 5.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.537 HG22 ' ND2' ' A' ' 21' ' ' ASN . 2.5 t -51.72 -44.5 63.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 8.3 t80 -37.76 136.1 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -152.89 78.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -88.85 35.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER 61.4 176.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.42 148.04 21.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -155.27 88.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.24 122.43 39.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.11 124.37 25.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -176.95 144.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -161.02 169.65 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 123.89 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.01 142.71 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.99 156.95 39.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.68 134.13 7.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.98 25.86 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.797 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' B' ' 10' ' ' PRO . 80.5 m -111.09 143.72 28.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' B' ' 9' ' ' THR . 18.2 Cg_endo -75.03 108.96 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 147.71 52.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.463 HG21 ' HB1' ' B' ' 61' ' ' ALA . 18.4 m -141.88 167.64 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.455 ' N ' HG22 ' B' ' 12' ' ' THR . 9.2 mt-10 -141.97 150.71 41.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 58.38 109.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 75.9 t -106.13 139.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.476 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 45.9 mttt 65.86 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.68 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 58.8 m-85 -156.88 103.66 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 114.69 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.508 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -143.2 -163.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.508 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -112.97 164.02 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -118.96 118.56 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.624 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -79.17 -33.63 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.73 -176.17 16.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.426 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -102.37 130.57 49.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.953 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.48 134.31 22.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.953 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.95 136.39 20.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -130.97 -170.42 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.59 -62.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -79.85 146.38 64.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.43 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.03 -19.86 17.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.39 150.98 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 140.78 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -45.19 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.73 67.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -71.45 -43.4 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.597 HD22 ' HE1' ' B' ' 87' ' ' PHE . 6.6 tp -65.5 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.65 -52.23 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.29 -50.82 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.7 -70.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.63 HD13 ' N ' ' B' ' 91' ' ' GLY . 8.9 mt -40.18 -47.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.35 -45.65 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -59.97 -64.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 26' ' ' LEU . 57.5 mt -50.65 -50.11 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.8 mmt -36.92 -56.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.2 t -82.01 -33.84 29.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.408 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 3.7 t -43.97 -63.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -117.13 -178.16 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -94.37 -176.54 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.0 OUTLIER -78.5 -38.12 41.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -29.79 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -40.27 86.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.4 m0 -55.79 110.78 2.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.73 38.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -85.46 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.6 m -131.21 174.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -120.69 108.25 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 ttm -82.2 102.93 11.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -80.49 132.88 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.623 HG11 ' O ' ' B' ' 125' ' ' ALA . 25.0 t -136.98 98.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.463 ' HB1' HG21 ' B' ' 12' ' ' THR . . . -97.96 -157.45 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.6 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.492 ' HB1' ' CG1' ' B' ' 82' ' ' VAL . . . -140.48 66.64 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -158.46 148.35 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.517 HG21 HG13 ' B' ' 126' ' ' VAL . 47.5 t -133.58 96.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.3 m -108.33 151.4 26.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 77' ' ' LEU . 79.9 t -119.86 106.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.485 HG21 ' O ' ' B' ' 73' ' ' GLU . 2.9 mt -104.33 149.61 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.7 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -60.62 134.23 56.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -52.63 55.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.59 -79.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.83 125.71 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.485 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.2 OUTLIER -89.41 -15.61 32.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.3 27.44 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -127.99 87.99 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.426 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.1 p -60.59 151.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' B' ' 69' ' ' SER . 24.6 mt -121.46 -53.53 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' B' ' 111' ' ' HIS . 2.1 t -143.17 141.74 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -120.61 93.96 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.662 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.4 t -98.21 96.48 8.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -76.87 120.13 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.688 HG22 ' SG ' ' B' ' 130' ' ' CYS . 1.1 t -51.08 -22.53 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -75.81 -41.43 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.594 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 11.4 m-85 -85.19 -29.68 24.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.662 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -44.16 135.72 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 61.0 p -104.3 -60.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 88' ' ' MET . 13.1 t80 -132.32 158.16 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -166.46 130.9 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.79 -139.35 2.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.466 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -135.67 164.57 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.63 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -87.8 -94.36 0.97 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -112.06 -37.08 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 142.86 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' B' ' 118' ' ' ASN . 4.7 m -76.18 -16.14 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -68.66 -10.65 57.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.655 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.516 HG22 ' CE3' ' B' ' 114' ' ' TRP . 41.6 p -111.7 157.94 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.604 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 53.4 t80 -157.67 115.23 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.737 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.66 171.07 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.6 p90 -163.08 143.92 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.33 142.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.55 ' CG ' ' HG3' ' B' ' 109' ' ' GLU . 25.2 ptm -145.52 144.64 30.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' B' ' 107' ' ' ARG . 9.2 t70 -90.2 138.9 31.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.695 HG21 ' CD ' ' B' ' 109' ' ' GLU . 69.0 p -118.69 -59.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.43 -137.15 9.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' B' ' 106' ' ' GLN . 4.2 m-20 -91.51 93.29 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.616 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 1.1 mt-30 86.99 -25.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -45.33 141.43 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 20.0 m-85 -141.54 132.82 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' GLU . . . . . 0.695 ' CD ' HG21 ' B' ' 103' ' ' THR . 12.6 pt-20 -126.29 131.53 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.602 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 52.5 t -101.08 124.19 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.2 m-70 -111.97 109.73 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.737 HG22 ' HB2' ' B' ' 98' ' ' ALA . 38.6 t -89.71 163.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.1 m-85 -153.94 166.7 32.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.516 ' CE3' HG22 ' B' ' 96' ' ' THR . 61.0 t-105 -122.08 111.78 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.487 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.5 m -110.36 156.01 21.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 7.6 mt-10 -136.65 135.5 20.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.02 -55.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.982 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.425 ' CB ' HG23 ' B' ' 94' ' ' VAL . 29.7 p30 -107.67 177.59 4.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.601 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -100.85 48.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -84.25 -39.08 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.43 -43.2 27.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.913 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.4 t -62.51 -61.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 26.3 p -52.5 -36.15 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.51 -55.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.68 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.53 -22.12 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.913 HG23 ' O ' ' B' ' 122' ' ' VAL . 13.5 t -93.6 -50.27 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.54 -36.67 64.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.95 -25.88 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' B' ' 82' ' ' VAL . . . -69.06 -51.01 43.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.688 ' SG ' HG22 ' B' ' 82' ' ' VAL . 66.8 m -55.32 -50.0 70.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 38.1 t -48.03 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.96 169.09 40.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 64.9 p -134.62 86.96 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.82 118.57 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.89 144.76 25.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.99 77.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.73 152.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.9 m -64.0 131.47 94.97 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.06 -10.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.53 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 1.0 OUTLIER -98.67 -41.59 7.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.31 -38.08 76.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -28.77 68.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 0.1 OUTLIER -72.32 -5.45 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' B' ' 94' ' ' VAL . 13.8 mt -103.26 -41.66 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.4 m -51.05 -21.81 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -87.43 -27.97 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.1 mtt -80.48 -16.24 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -76.52 -19.06 58.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.4 mp0 -119.18 -97.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -40.4 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 58.61 -144.36 43.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.78 129.54 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -114.29 94.56 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -62.98 112.19 6.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -75.06 -173.15 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' PRO . 0.5 OUTLIER 85.02 -39.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 40.7 t80 -57.95 -82.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 178.84 166.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.5 t80 59.85 124.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.87 166.54 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.29 107.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.1 166.55 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtm -150.56 143.34 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -118.05 130.93 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.09 167.59 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -145.68 153.89 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.22 84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -146.86 170.79 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.94 113.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.33 -142.18 7.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.63 18.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.529 1.804 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.3 p -136.4 159.56 70.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 110.38 3.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.1 95.41 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -128.09 124.22 36.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -77.85 155.32 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.4 mm? 64.27 131.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.683 HG11 ' OD1' ' B' ' 59' ' ' ASN . 72.1 t -139.89 151.72 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -55.37 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttt 68.35 145.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.67 ' O ' HG13 ' B' ' 20' ' ' VAL . 69.0 m-85 -156.22 93.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.56 100.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.67 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.1 m -128.07 -163.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.451 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -107.68 167.16 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.6 115.14 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.528 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -77.27 -41.38 41.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.94 -174.73 19.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.112 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.8 ttp -102.83 132.34 49.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.969 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.97 134.28 23.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.969 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 14.6 m -139.73 179.32 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -122.83 -50.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -76.13 135.17 70.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.27 20.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.13 -179.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.25 141.05 11.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.423 ' HE3' ' O ' ' B' ' 90' ' ' VAL . 30.6 mmm -80.21 -40.33 27.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 0.807 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -34.76 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 16.2 m -85.26 -31.59 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' B' ' 110' ' ' CYS . 11.4 tp -70.71 -61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.633 ' HA ' HD12 ' B' ' 41' ' ' ILE . 0.7 OUTLIER -50.65 -45.86 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -39.61 -46.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' B' ' 26' ' ' LEU . . . -64.13 -61.66 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 38' ' ' ASN . 11.3 mt -42.09 -42.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.442 ' O ' HG22 ' B' ' 46' ' ' THR . 21.6 mt-10 -65.87 -53.57 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.427 ' OD1' HD11 ' B' ' 26' ' ' LEU . 0.1 OUTLIER -51.2 -60.36 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.522 ' CD2' HD23 ' B' ' 26' ' ' LEU . 76.4 mt -53.41 -54.81 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.402 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.3 mmt -37.46 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.499 HG23 ' N ' ' B' ' 47' ' ' SER . 5.2 t -67.79 -53.69 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.499 ' N ' HG23 ' B' ' 46' ' ' THR . 3.7 m -36.04 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -76.32 -176.55 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.533 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.5 m -105.34 -177.05 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.76 -35.92 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.21 -19.67 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -38.29 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 14.1 m0 -54.63 109.03 1.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.71 42.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.2 p -79.44 132.37 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.35 171.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 91.0 m-20 -120.62 108.7 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.6 ttm -82.28 106.89 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.683 ' OD1' HG11 ' B' ' 15' ' ' VAL . 2.2 m-80 -81.72 130.23 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.462 HG11 ' O ' ' B' ' 125' ' ' ALA . 36.7 t -131.72 103.21 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.1 -160.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.7 OUTLIER -40.64 -58.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.92 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -152.68 69.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.0 m -160.82 140.89 11.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.3 t -128.61 96.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.569 HG23 ' HG3' ' B' ' 79' ' ' GLU . 91.4 m -112.79 132.08 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.548 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 98.5 t -103.11 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -96.94 152.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.636 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.6 t -60.63 136.37 58.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.411 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.68 -56.87 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -63.6 122.2 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -12.39 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -109.51 32.05 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -130.89 89.68 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.467 ' O ' HD23 ' B' ' 77' ' ' LEU . 4.6 p -65.19 152.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' B' ' 69' ' ' SER . 13.7 mt -122.46 -51.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.47 123.74 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.569 ' HG3' HG23 ' B' ' 66' ' ' THR . 5.7 tt0 -109.3 93.88 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' B' ' 85' ' ' LEU . 20.0 t -97.02 99.64 11.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.1 mpt_? -73.75 115.18 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.92 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.83 -27.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' B' ' 81' ' ' ARG . 24.3 mmt180 -70.2 -46.91 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 11.6 m-85 -75.63 -35.11 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -42.48 148.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 77.8 p -122.16 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.86 ' HB3' HD12 ' B' ' 100' ' ' ILE . 30.8 t80 -122.18 162.74 20.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.85 119.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.85 -161.73 12.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.611 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -121.17 172.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 0.73 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.611 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -106.4 -120.84 4.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.08 140.97 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.612 ' HB ' HD13 ' A' ' 11' ' ' LEU . 3.3 m -72.72 -34.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -42.6 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.425 ' N ' ' C ' ' B' ' 94' ' ' VAL . 21.0 p -100.32 139.23 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.557 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 68.9 t80 -134.9 112.86 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' B' ' 111' ' ' HIS . . . -108.54 170.07 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 99' ' ' PHE . 5.2 p90 -164.65 144.63 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.86 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.3 mt -95.02 133.33 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.8 ptm -133.9 142.89 47.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.56 124.8 29.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.664 HG21 ' CD ' ' B' ' 109' ' ' GLU . 82.0 p -122.02 50.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.75 -146.61 16.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.96 -74.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.593 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 5.1 mt-30 -120.2 3.08 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.42 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 9.7 mpt_? -58.54 145.4 39.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 13.6 m-85 -137.32 127.0 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' GLU . . . . . 0.664 ' CD ' HG21 ' B' ' 103' ' ' THR . 80.1 mt-10 -115.16 124.01 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.617 ' SG ' HD12 ' B' ' 37' ' ' LEU . 46.4 t -100.32 121.87 42.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.451 ' O ' ' HA ' ' B' ' 98' ' ' ALA . 71.6 m80 -110.06 163.53 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.568 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.6 t -143.41 154.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 21.2 m-85 -147.31 168.98 20.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 t-105 -124.87 111.89 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -111.71 158.93 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 108.365 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 41.1 mt-10 -134.81 132.86 20.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -55.97 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.004 -2.499 . . . . 0.0 111.0 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' B' ' 120' ' ' ALA . 50.8 p-10 -106.56 177.89 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' B' ' 97' ' ' PHE . . . -98.9 39.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.541 ' HB2' ' ND2' ' B' ' 118' ' ' ASN . . . -72.37 -65.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -56.76 -19.57 17.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.946 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.0 t -87.06 -62.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.557 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 45.9 m -57.65 -31.26 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.2 -58.54 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.462 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -51.47 -22.06 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.946 HG23 ' O ' ' B' ' 122' ' ' VAL . 21.2 t -93.24 -34.36 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -63.37 -41.7 98.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.23 -20.26 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.17 -57.22 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.597 ' SG ' HG22 ' B' ' 82' ' ' VAL . 11.1 m -52.45 -58.17 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 34.4 t -43.41 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.65 168.41 33.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 135.97 19.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.5 96.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.94 80.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.18 -61.61 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.56 97.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.93 152.77 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.597 HG23 ' HD2' ' A' ' 6' ' ' PRO . 14.7 m -80.73 143.45 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 -52.41 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.706 ' HG3' ' HB1' ' B' ' 120' ' ' ALA . 2.9 tp10 -52.64 -50.08 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' H ' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -52.25 -56.87 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -48.03 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.69 -40.32 65.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.828 HD11 ' HB2' ' B' ' 120' ' ' ALA . 88.3 mt -80.29 -66.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -38.95 -30.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.9 ttpt -75.57 -68.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 19' ' ' TYR . 2.8 mmt -41.29 -36.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.32 -63.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.1 OUTLIER -94.75 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -44.65 -63.7 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -172.87 51.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 42.3 t80 -146.82 134.27 20.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.702 ' OE2' HG11 ' B' ' 32' ' ' VAL . 0.0 OUTLIER -117.69 106.94 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.606 ' OD1' HG22 ' A' ' 23' ' ' THR . 33.1 t-20 -40.72 102.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.18 5.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.606 HG22 ' OD1' ' A' ' 21' ' ' ASN . 2.4 t -165.84 -42.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 10.5 t80 -44.77 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.02 164.42 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -171.94 168.96 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.69 176.32 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.45 143.84 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -119.31 173.97 6.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mtm -145.89 152.39 39.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 57.14 94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 103.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -150.08 139.64 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.52 94.53 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -148.48 122.91 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -136.15 93.44 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.01 130.23 21.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.51 27.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.3 p -52.62 160.12 1.49 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.95 129.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.4 t -97.69 147.45 24.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.02 -178.48 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.78 107.37 18.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t -104.82 141.57 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -56.24 20.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.435 ' CG ' ' OD1' ' B' ' 59' ' ' ASN . 47.3 mttt 68.59 147.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.596 ' O ' HG13 ' B' ' 20' ' ' VAL . 45.6 m-85 -157.99 92.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -64.01 100.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.596 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.2 m -128.41 -164.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.407 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.1 tt0 -105.35 171.4 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -129.12 102.51 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.752 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -62.26 -40.07 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.41 -170.93 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.476 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.9 ttp -109.29 126.31 53.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.965 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.16 133.46 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.965 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 145.4 31.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.56 -170.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.83 -53.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -87.65 152.45 51.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -75.03 -31.28 6.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . 0.702 HG11 ' OE2' ' A' ' 20' ' ' GLU . 32.6 m -129.2 171.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.82 132.96 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.078 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -82.25 -20.58 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -81.54 -22.77 37.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -85.02 -42.91 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.26 -60.45 3.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.436 ' HA ' HD12 ' B' ' 41' ' ' ILE . 1.3 m-80 -45.78 -47.9 15.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -48.59 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -58.76 -64.86 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' B' ' 38' ' ' ASN . 13.6 mt -40.48 -45.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.2 -48.01 80.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -59.8 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.566 ' HG ' HD23 ' B' ' 26' ' ' LEU . 41.9 mt -54.1 -51.42 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -36.72 -48.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' SER . 2.4 t -88.0 -36.74 16.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.7 t -38.57 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.1 m -113.85 -176.39 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -94.87 -175.47 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.1 ttmt -79.65 -37.21 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -28.73 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.04 -43.53 98.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -52.28 108.64 1.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.59 41.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -84.08 131.94 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.25 169.39 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 92.2 m-20 -115.12 109.77 18.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.1 ttm -82.4 101.01 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASN . . . . . 0.435 ' OD1' ' CG ' ' B' ' 17' ' ' LYS . 5.7 m-20 -76.5 132.84 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.55 HG11 ' O ' ' B' ' 125' ' ' ALA . 56.8 t -136.76 98.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.63 -154.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.32 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.781 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -137.11 65.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -156.96 143.63 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.66 HG21 HG13 ' B' ' 126' ' ' VAL . 76.6 t -130.72 96.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.407 ' CG2' HG23 ' B' ' 76' ' ' VAL . 40.6 m -107.78 151.62 25.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 77' ' ' LEU . 80.4 t -119.72 100.58 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -98.87 148.7 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.524 ' HA ' HD11 ' B' ' 77' ' ' LEU . 2.4 t -56.57 133.64 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.423 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -46.69 -51.72 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -60.54 120.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.16 -5.06 58.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.06 22.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -119.6 88.32 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.407 HG23 ' CG2' ' B' ' 66' ' ' THR . 7.3 p -64.05 147.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' B' ' 69' ' ' SER . 22.5 mt -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.29 137.06 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.527 ' O ' ' HE3' ' B' ' 101' ' ' MET . 6.3 tt0 -117.14 93.99 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.614 ' SG ' HD12 ' B' ' 85' ' ' LEU . 36.9 t -96.99 87.59 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 84' ' ' PHE . 11.8 mmt180 -70.85 112.61 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.781 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.51 -40.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -51.47 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.606 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 7.6 m-85 -72.48 -38.3 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.614 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.9 OUTLIER -39.95 134.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -103.71 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 75.3 t80 -135.23 166.08 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.46 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.17 138.19 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.99 -152.13 7.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.523 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -127.76 168.65 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.523 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -97.61 -112.27 3.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' B' ' 93' ' ' ASP . 5.8 pttp -88.66 -47.77 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 0.5 OUTLIER -106.6 117.38 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' B' ' 90' ' ' VAL . 35.0 m -44.97 -31.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -47.75 -24.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.509 HG22 ' CE3' ' B' ' 114' ' ' TRP . 65.2 p -102.0 132.38 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -130.5 121.42 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.732 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -118.01 168.49 10.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 5.0 p90 -165.98 142.16 5.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' B' ' 108' ' ' PHE . 3.9 mt -95.42 135.06 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' MET . . . . . 0.528 ' HE2' HG22 ' B' ' 103' ' ' THR . 27.8 ptm -134.02 148.9 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.38 123.78 32.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.528 HG22 ' HE2' ' B' ' 101' ' ' MET . 58.2 p -121.58 -58.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . -101.45 -168.43 27.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -57.28 89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 75.7 mt-30 68.64 5.15 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.463 ' HB2' ' CA ' ' B' ' 104' ' ' GLY . 0.0 OUTLIER -62.17 142.63 57.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 11.7 m-85 -128.71 128.16 43.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -119.83 133.8 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.529 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 31.2 t -100.27 115.05 29.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 98.6 m-70 -108.43 106.5 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.752 HG12 HD13 ' B' ' 23' ' ' LEU . 41.2 t -90.23 155.07 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.5 m-85 -147.03 151.7 37.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.093 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' TRP . . . . . 0.509 ' CE3' HG22 ' B' ' 96' ' ' THR . 53.8 t-105 -108.48 112.48 24.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.53 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.3 m -102.18 163.46 12.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.341 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' B' ' 117' ' ' PRO . 27.6 mt-10 -139.9 125.06 11.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.08 -66.18 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.024 0.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -95.3 -178.3 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -108.84 46.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.828 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -77.68 -47.55 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.57 -35.77 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.92 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -64.91 -63.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 18.1 t -58.6 -23.29 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 4.1 tp10 -78.7 -54.01 6.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.55 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -56.85 -20.11 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.92 HG23 ' O ' ' B' ' 122' ' ' VAL . 16.9 t -94.07 -47.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -60.04 -26.97 66.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.48 -21.37 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.2 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.574 ' SG ' HG22 ' B' ' 82' ' ' VAL . 2.3 m -50.35 -38.7 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -176.04 -60.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 168.05 44.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 165.63 30.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 60.1 p -75.46 -56.68 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.91 132.96 40.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.58 -68.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.5 89.47 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.663 HG23 ' N ' ' A' ' 5' ' ' THR . 7.1 m -80.72 -143.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.663 ' N ' HG23 ' A' ' 4' ' ' VAL . 3.0 m -94.35 141.11 23.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 -14.95 20.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.781 ' OE2' ' HB1' ' B' ' 120' ' ' ALA . 2.6 tp10 -97.2 -42.34 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.79 -28.66 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -48.89 37.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -51.34 -22.29 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.801 HD11 ' HB2' ' B' ' 120' ' ' ALA . 21.2 mt -92.96 -45.7 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 63.3 m -50.04 -23.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -65.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.9 mtt -50.39 -35.42 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.48 ' HA ' HG22 ' B' ' 90' ' ' VAL . 5.5 mt-30 -39.43 -59.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -112.49 -61.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -48.09 -24.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.06 -169.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -140.39 143.49 35.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -135.86 96.89 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.686 ' HB2' HG22 ' A' ' 23' ' ' THR . 44.6 p-10 -60.34 133.47 90.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -74.96 -27.34 10.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.686 HG22 ' HB2' ' A' ' 21' ' ' ASN . 1.4 t -37.31 -44.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 6.9 t80 -56.62 -178.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 175.99 -83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 55.22 88.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -142.24 154.31 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 58.2 84.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -176.55 76.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -135.48 -56.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -140.29 -60.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -177.51 155.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.2 168.35 6.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.97 -165.58 14.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -176.25 131.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -114.54 172.36 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.92 149.98 21.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -169.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.5 p -128.45 158.39 71.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.29 29.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.83 131.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -100.91 122.16 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 172.77 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.6 mm? -94.27 123.77 37.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.797 HG22 ' HB2' ' B' ' 61' ' ' ALA . 39.6 t -129.07 152.95 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -34.42 22.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' B' ' 18' ' ' PHE . 0.1 OUTLIER 62.21 155.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.855 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 38.6 m-85 -162.17 94.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -70.78 113.13 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.455 HG11 HG21 ' B' ' 122' ' ' VAL . 2.7 m -140.74 -165.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.445 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -106.84 165.58 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -121.99 110.28 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.582 ' O ' HD22 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -71.71 -30.33 65.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.63 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 121.92 -176.68 16.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -101.33 129.68 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.942 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.23 134.3 24.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.942 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 146.93 33.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.81 -159.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.75 -66.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -78.72 150.41 75.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 m -149.06 139.29 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.63 136.09 1.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.83 -50.21 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -13.15 50.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.1 m -84.33 -36.48 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 40' ' ' ALA . 4.8 tp -75.97 -64.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.2 m120 -40.62 -53.37 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -38.64 -38.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -72.81 -66.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.513 ' O ' ' CG ' ' B' ' 45' ' ' MET . 18.3 mt -41.32 -40.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -69.59 -44.43 70.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -60.95 -61.87 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.63 HD11 ' O ' ' B' ' 24' ' ' GLY . 16.6 mt -52.79 -50.37 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.32 -58.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.404 ' O ' ' C ' ' B' ' 47' ' ' SER . 4.4 t -79.19 -34.82 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.5 t -38.96 -68.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 m -116.31 -179.25 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.3 m -90.66 -177.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.68 -37.3 31.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -18.01 61.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -39.45 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.59 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -54.72 110.34 2.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.8 40.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -86.32 122.58 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.43 173.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -119.99 113.86 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.4 ttm -88.49 99.14 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.1 123.93 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.633 HG11 ' HB1' ' B' ' 125' ' ' ALA . 25.6 t -126.62 105.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.797 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -107.35 -156.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.68 -66.21 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.944 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.3 69.01 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -160.58 138.69 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.406 HG21 HG13 ' B' ' 126' ' ' VAL . 55.8 t -126.03 98.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.441 HG23 ' HG3' ' B' ' 79' ' ' GLU . 92.2 m -114.16 136.02 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.462 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 69.9 t -100.63 104.51 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.795 HG23 ' O ' ' B' ' 75' ' ' GLU . 25.2 mt -98.92 147.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.488 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -64.57 127.34 31.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -58.47 7.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LYS . . . . . 0.464 ' O ' ' ND2' ' B' ' 72' ' ' ASN . 1.4 mmtp -81.16 79.03 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 0.4 OUTLIER 164.19 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 0.6 OUTLIER 88.96 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 40.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.795 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.7 OUTLIER -145.69 116.64 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.4 t -86.51 143.39 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' B' ' 69' ' ' SER . 32.2 mt -114.73 -53.63 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.7 t -137.73 144.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' B' ' 66' ' ' THR . 2.1 tt0 -126.99 94.64 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' B' ' 85' ' ' LEU . 29.0 t -97.81 89.7 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.7 mpt_? -66.12 114.88 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.944 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.4 -27.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' B' ' 81' ' ' ARG . 5.9 mmt85 -72.35 -44.18 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.265 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 14.6 m-30 -78.02 -34.98 50.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.725 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -39.77 143.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.421 ' OG ' HG22 ' B' ' 100' ' ' ILE . 2.8 p -115.23 -62.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' B' ' 88' ' ' MET . 9.5 t80 -132.85 150.64 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.562 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -157.39 130.99 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.26 -153.44 7.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.609 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.4 m -126.11 172.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.609 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -94.28 -100.99 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.97 -31.24 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.04 143.1 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.9 m -80.94 2.71 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 10.7 m80 -86.51 -21.66 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 13.5 p -97.1 158.51 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.638 ' CE2' HG21 ' B' ' 126' ' ' VAL . 35.8 t80 -157.88 112.88 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.795 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.35 162.28 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.594 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.2 p90 -153.15 143.57 22.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ILE . . . . . 0.469 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -95.88 130.26 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.7 ptm -128.29 148.17 50.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.69 125.57 42.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 104' ' ' GLY . 23.2 p -110.97 -58.22 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' GLY . . . . . 0.409 ' N ' ' OG1' ' B' ' 103' ' ' THR . . . -96.72 -166.21 33.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.58 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -114.75 2.57 14.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -68.19 131.21 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.475 ' N ' ' HD2' ' B' ' 107' ' ' ARG . 11.9 m-85 -122.93 158.29 30.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.41 150.33 48.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 45.4 t -118.99 126.37 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.4 m-70 -120.57 109.59 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.795 HG22 ' HB2' ' B' ' 98' ' ' ALA . 39.6 t -90.63 164.49 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.587 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 65.3 m-85 -156.31 156.72 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -111.99 114.73 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.7 m -111.83 149.77 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 36.3 mt-10 -132.67 135.37 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.02 -55.81 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.993 0.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.498 ' CB ' HG23 ' B' ' 94' ' ' VAL . 5.0 p30 -107.22 175.08 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.446 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -98.47 42.08 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.801 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -82.86 -25.42 32.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -43.27 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.899 ' O ' HG23 ' B' ' 126' ' ' VAL . 1.7 t -64.65 -62.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.471 ' N ' HG12 ' B' ' 122' ' ' VAL . 2.2 p -53.45 -37.26 62.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.544 ' OE2' ' HB2' ' B' ' 128' ' ' ALA . 12.1 tp10 -63.01 -56.59 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.855 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -54.15 -20.38 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.899 HG23 ' O ' ' B' ' 122' ' ' VAL . 18.2 t -93.63 -32.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 123' ' ' SER . 3.4 tt0 -70.27 -43.78 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' ALA . . . . . 0.544 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -76.3 -20.25 57.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 125' ' ' ALA . . . -69.32 -42.03 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.734 ' SG ' HG22 ' B' ' 82' ' ' VAL . 58.1 m -65.54 -48.77 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 19.7 m -175.54 86.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.2 -135.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 7.6 t -72.83 95.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 58.6 p -95.53 152.22 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.67 174.32 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.44 62.92 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.4 m -60.78 -168.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 6' ' ' PRO . 2.4 m -63.03 146.64 95.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.98 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.647 ' CD ' ' HB1' ' B' ' 120' ' ' ALA . 8.3 tp10 -58.87 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.615 ' H ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER -51.13 -47.89 61.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -63.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -40.64 -47.91 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.622 HD11 ' HB2' ' B' ' 120' ' ' ALA . 73.3 mt -66.51 -53.74 31.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.19 -25.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASN . 6.3 tttp -74.6 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.467 ' HE3' ' HB2' ' A' ' 19' ' ' TYR . 36.3 mtt -63.77 -9.74 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.459 ' CD ' HG12 ' B' ' 94' ' ' VAL . 2.6 mt-30 -69.2 -27.42 65.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' LYS . 1.1 m-20 -70.62 -25.96 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 56.81 -157.48 11.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 88.7 t80 -153.4 136.58 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.74 94.7 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -58.4 126.65 79.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' HB ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -75.0 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 22' ' ' PRO . 0.7 OUTLIER 70.9 -57.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 10.7 t80 -36.91 -45.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.01 149.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -175.5 160.37 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.088 . . . . 0.0 110.956 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.5 t80 52.92 86.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 138.23 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -58.29 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 mmt -61.49 -55.01 35.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -178.72 153.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.2 119.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -163.19 162.47 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 118.02 0.95 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -161.41 97.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.14 131.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 147.62 22.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.1 10.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 19.1 p -131.24 141.72 42.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.4 Cg_endo -75.0 167.02 27.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.78 62.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -68.33 139.27 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.01 155.32 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.97 119.04 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.646 HG23 ' HG3' ' B' ' 17' ' ' LYS . 10.1 m -58.16 177.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -66.63 -56.95 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LYS . . . . . 0.646 ' HG3' HG23 ' B' ' 15' ' ' VAL . 68.3 mttt 62.85 151.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 87.6 m-85 -157.14 112.67 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 120.7 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.53 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.4 m -149.57 -162.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLN . . . . . 0.53 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.9 mt-30 -113.15 170.43 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.76 101.29 6.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.679 HD13 HG12 ' B' ' 112' ' ' VAL . 0.6 OUTLIER -62.78 -38.01 88.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.39 -170.59 20.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -105.52 131.69 52.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.762 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.1 OUTLIER -117.52 130.94 24.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PRO . . . . . 0.762 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.426 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 32.1 m -117.36 -168.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.05 -52.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -93.49 150.52 39.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -74.97 -31.81 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.32 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.42 111.04 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.8 tpt -64.9 -9.69 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.14 -33.8 15.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 1.2 m -78.24 -35.7 47.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.418 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.53 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -42.12 -51.44 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -39.9 -46.59 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -64.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.465 HD13 ' N ' ' B' ' 91' ' ' GLY . 14.4 mt -43.73 -42.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.57 -47.05 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.516 ' O ' HG22 ' B' ' 46' ' ' THR . 0.1 OUTLIER -58.11 -68.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.76 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.9 mt -45.56 -51.57 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.2 mmt -38.11 -48.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.516 HG22 ' O ' ' B' ' 43' ' ' ASN . 2.8 t -88.29 -35.3 17.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.4 t -39.26 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.5 m -112.1 -175.94 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' SER . . . . . 0.483 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.0 m -90.06 -175.96 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -84.57 -34.61 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -21.62 51.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.82 -36.37 78.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' TRP . . . . . 0.594 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -57.1 111.29 3.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.99 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -80.4 130.45 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.13 173.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -126.94 107.5 10.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttm -82.49 108.41 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -92.84 122.52 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' VAL . . . . . 0.536 HG11 ' O ' ' B' ' 125' ' ' ALA . 22.9 t -122.17 109.14 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.639 ' CB ' HG12 ' B' ' 15' ' ' VAL . . . -162.46 166.75 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.87 28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.917 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . 62.6 49.31 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.503 ' N ' ' O ' ' B' ' 61' ' ' ALA . 96.9 m -145.08 129.77 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' VAL . . . . . 0.49 HG21 HG13 ' B' ' 126' ' ' VAL . 54.4 t -106.83 105.21 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.408 ' CG2' HG23 ' B' ' 76' ' ' VAL . 87.6 m -116.92 132.29 56.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 89.3 t -100.95 101.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.404 HG21 ' O ' ' B' ' 73' ' ' GLU . 16.8 mt -94.42 156.0 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.646 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -66.96 118.49 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 69' ' ' SER . 1.1 tt0 -38.72 -47.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -62.09 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -71.71 125.12 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.404 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.8 OUTLIER -81.8 -7.44 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.17 29.3 7.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -129.57 80.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.508 ' O ' HD23 ' B' ' 77' ' ' LEU . 9.3 p -57.52 153.57 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.646 HD11 ' HA ' ' B' ' 69' ' ' SER . 19.5 mt -125.14 -53.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.92 136.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -118.14 93.95 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.705 ' SG ' HD12 ' B' ' 85' ' ' LEU . 12.2 t -96.79 92.57 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' B' ' 83' ' ' ARG . 9.8 mmt85 -71.52 116.14 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.917 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.4 OUTLIER -47.15 -24.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 81' ' ' ARG . 15.4 mmt180 -72.71 -43.02 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 12.7 m-85 -80.44 -33.79 36.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' LEU . . . . . 0.705 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.94 153.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 86' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 96.8 p -126.98 -59.02 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 31.0 t80 -131.43 161.71 31.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' MET . . . . . 0.768 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -169.64 137.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.62 -150.31 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.544 HG23 ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -132.64 167.59 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLY . . . . . 0.544 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -94.55 -105.01 1.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.17 -40.69 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.72 144.09 27.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.514 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.2 m -78.84 -24.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 115' ' ' CYS . 1.4 m80 -62.98 -14.9 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.625 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.9 p -99.46 152.7 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' PHE . . . . . 0.678 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 31.6 t80 -156.5 113.51 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.724 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.69 164.92 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.5 p90 -157.43 143.57 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 6.4 mt -94.65 126.76 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -121.92 142.43 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.18 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -83.26 -41.93 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.58 -98.47 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' B' ' 106' ' ' GLN . 2.2 t-20 -64.5 178.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.625 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 39.9 mt-30 -37.44 -48.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' B' ' 106' ' ' GLN . 3.4 mpt_? -33.43 134.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' PHE . . . . . 0.625 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 24.1 m-85 -129.08 155.73 44.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -124.82 137.92 54.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 42.9 t -113.91 125.0 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 108.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.0 m-70 -113.4 111.28 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' B' ' 98' ' ' ALA . 28.0 t -91.16 162.47 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 41.7 m-85 -152.66 166.65 31.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -125.2 94.9 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' CYS . . . . . 0.616 ' SG ' HG21 ' B' ' 122' ' ' VAL . 12.8 m -89.06 162.29 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.5 mt-10 -139.57 134.08 16.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -57.03 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.997 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ASN . . . . . 0.514 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.1 p30 -104.86 178.03 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ALA . . . . . 0.477 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -103.69 40.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ALA . . . . . 0.647 ' HB1' ' CD ' ' A' ' 7' ' ' GLU . . . -77.04 -48.49 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -69.96 -46.97 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' VAL . . . . . 0.841 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -56.18 -69.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.569 ' N ' HG12 ' B' ' 122' ' ' VAL . 34.9 p -49.13 -35.35 16.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 21.9 tt0 -66.02 -57.63 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.83 -22.56 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 122' ' ' VAL . 5.7 t -93.77 -28.1 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' GLN . . . . . 0.41 ' HA ' ' HE3' ' B' ' 88' ' ' MET . 11.8 tt0 -72.91 -35.62 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.78 -21.73 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.67 -46.4 38.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' CYS . . . . . 0.563 ' HA ' HG22 ' B' ' 82' ' ' VAL . 11.3 m -47.99 -48.84 32.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 -55.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.08 168.03 21.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 161.02 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 71.4 p -126.42 147.86 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 11.4 m -131.59 155.92 46.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' B' ' 120' ' ' ALA . 79.6 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.85 -35.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.8 -56.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' GLN . 18.7 mtt -60.68 -46.12 91.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.532 ' CD ' HG12 ' B' ' 94' ' ' VAL . 6.1 mt-30 -42.17 -27.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' MET . 1.8 mp0 -123.43 -86.29 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.488 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 4.7 m-80 -40.92 -34.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 -141.46 38.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 61.8 t80 -164.57 131.87 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 45.0 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -51.73 60.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 59.7 mttt 66.9 145.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 62.1 m-85 -153.39 103.09 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.09 119.43 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.539 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.4 m -148.41 -162.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.539 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -113.38 165.16 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -119.48 103.06 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.718 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -63.0 -35.19 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.92 -169.84 20.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.4 ttp -108.19 128.4 54.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.941 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -118.29 133.62 23.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.941 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 147.57 34.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.24 -179.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 -57.53 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 159.06 32.62 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.39 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.91 -177.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.51 133.11 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -45.74 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -19.51 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -80.78 -26.41 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 38' ' ' ASN . 12.7 tp -86.05 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' B' ' 37' ' ' LEU . 91.3 m-20 -40.47 -51.25 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -41.06 -47.56 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.59 -66.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.532 HD13 ' N ' ' B' ' 91' ' ' GLY . 22.3 mt -41.66 -46.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.05 -49.64 73.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -64.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.708 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.7 mt -48.69 -52.35 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.409 ' HE1' ' CH2' ' B' ' 53' ' ' TRP . 2.9 mmt -38.94 -65.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.46 HG23 ' N ' ' B' ' 47' ' ' SER . 5.0 t -68.03 -51.51 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.46 ' N ' HG23 ' B' ' 46' ' ' THR . 0.4 OUTLIER -37.48 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -80.61 174.16 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.403 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 32.0 m -95.03 175.2 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.39 -40.69 57.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -24.09 57.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -63.8 -39.36 94.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.4 m0 -55.89 111.51 3.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -89.34 132.83 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.84 -178.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 71.3 m-20 -130.72 108.56 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttm -82.44 104.61 12.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.78 127.87 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.544 HG11 ' O ' ' B' ' 125' ' ' ALA . 24.4 t -131.34 105.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.89 -157.92 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -41.34 -57.84 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.983 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -155.07 66.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.459 HG23 ' HD2' ' B' ' 81' ' ' ARG . 91.2 m -158.23 133.95 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 80' ' ' CYS . 79.2 t -120.97 101.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -115.75 144.88 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.555 HG12 HD12 ' B' ' 77' ' ' LEU . 75.9 t -111.45 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.577 HG21 ' O ' ' B' ' 73' ' ' GLU . 16.4 mt -100.21 145.47 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.652 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.2 t -52.54 147.47 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.66 -53.66 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -75.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 69' ' ' SER . 18.5 m-20 -68.23 155.6 39.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.577 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.4 tp10 -112.02 -26.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -99.68 32.31 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -126.75 85.52 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.455 ' O ' HD23 ' B' ' 77' ' ' LEU . 6.3 p -63.57 153.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.9 mt -122.79 -50.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.91 125.95 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -105.94 93.73 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.828 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.4 t -102.17 98.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 6.5 mmm180 -78.27 124.33 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.983 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.82 -27.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' B' ' 81' ' ' ARG . 17.6 mmt180 -74.19 -43.53 56.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.461 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 10.2 m-85 -74.29 -41.23 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.828 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -40.74 142.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 5.9 p -116.23 -58.84 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.669 ' HB3' HD12 ' B' ' 100' ' ' ILE . 29.2 t80 -128.83 156.84 43.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.707 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -166.62 137.8 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.9 -152.01 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.501 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -131.7 168.72 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.532 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -92.17 -125.12 3.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -89.31 -15.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -122.73 131.67 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.532 HG12 ' CD ' ' A' ' 15' ' ' GLN . 10.4 m -67.57 -14.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 4.2 m80 -70.83 -12.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.0 p -105.01 158.76 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.603 ' CE2' HG21 ' B' ' 126' ' ' VAL . 61.8 t80 -158.11 114.65 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.835 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -119.11 160.89 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.0 p90 -155.53 143.35 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.8 mt -94.71 141.58 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -140.32 143.0 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.494 0.188 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -118.46 146.78 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.536 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 11.6 t -119.04 137.44 53.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.6 m-70 -122.76 114.48 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.835 HG22 ' HB2' ' B' ' 98' ' ' ALA . 46.0 t -93.98 164.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 55.6 m-85 -155.54 163.15 40.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -120.19 105.75 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.501 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.2 m -95.92 161.87 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.47 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.8 OUTLIER -141.13 129.96 12.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -62.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.025 0.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.405 ' CB ' HG23 ' B' ' 94' ' ' VAL . 37.4 p30 -96.45 176.57 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 94' ' ' VAL . . . -105.02 44.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.764 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -80.13 -48.58 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.29 -49.38 67.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.853 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -54.13 -70.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.595 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 25.5 m -48.68 -33.84 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 22.9 tt0 -67.6 -51.36 51.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -60.49 -18.01 48.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 122' ' ' VAL . 11.3 t -93.45 -51.56 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.408 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.81 -43.53 77.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 130' ' ' CYS . . . -58.16 -56.96 15.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 98.9 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' B' ' 120' ' ' ALA . 11.1 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -39.56 -30.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 11.5 tttt -65.7 -60.76 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.533 ' O ' ' HE1' ' B' ' 34' ' ' MET . 10.7 mtt -67.25 -26.06 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HA ' HG22 ' B' ' 90' ' ' VAL . 4.4 mt-30 -45.69 -42.31 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -129.6 -42.25 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 1.5 t-20 -72.17 -10.98 60.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 40.09 -161.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.436 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 59.9 t80 -147.38 130.98 16.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.642 HG12 ' H ' ' B' ' 16' ' ' GLN . 5.5 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.642 ' H ' HG12 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -96.38 -39.21 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 152.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 54.8 m-85 -158.69 94.52 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -69.5 102.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.435 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.9 m -129.07 -168.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -103.01 167.29 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.37 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.614 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -69.97 -38.76 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.73 -173.24 20.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.525 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.2 ttp -104.94 126.16 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.998 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.25 134.75 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.998 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.0 Cg_endo -75.09 139.82 24.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.1 m -127.64 -178.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.69 -49.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -95.29 147.7 33.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.12 6.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.55 160.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.21 133.62 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.533 ' HE1' ' O ' ' A' ' 14' ' ' MET . 96.7 mmm -76.8 -38.31 54.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.37 -34.31 4.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 37.7 m -87.44 -47.14 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -63.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.441 ' HA ' HD12 ' B' ' 41' ' ' ILE . 0.9 OUTLIER -45.04 -46.91 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -41.79 -46.67 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -54.94 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' B' ' 45' ' ' MET . 46.2 mt -50.28 -49.5 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.49 -36.0 82.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -68.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' B' ' 26' ' ' LEU . 35.8 mt -49.82 -46.42 51.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.1 mmt -37.03 -48.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -95.66 -37.05 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -46.11 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 p -123.61 176.71 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -96.01 172.39 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.577 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.19 -39.51 60.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.47 -20.96 59.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.83 -44.98 68.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -49.22 109.68 1.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.94 40.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -84.83 131.56 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 m -135.97 167.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 86.3 m-20 -115.08 111.46 21.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ttm -86.35 104.99 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -79.8 127.84 32.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.558 HG11 ' O ' ' B' ' 125' ' ' ALA . 23.6 t -131.45 106.33 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.95 -153.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -39.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.896 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -147.53 67.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 81.6 m -158.58 138.42 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.424 HG21 HG13 ' B' ' 126' ' ' VAL . 73.5 t -125.6 100.12 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -111.94 142.83 43.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -111.25 102.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.616 HG23 ' O ' ' B' ' 75' ' ' GLU . 18.6 mt -101.48 148.16 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.603 ' HA ' HD11 ' B' ' 77' ' ' LEU . 3.6 t -57.74 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.424 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.3 OUTLIER -49.83 -55.53 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -77.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 83.5 m-20 -69.87 115.97 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -7.81 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -109.35 14.36 23.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.616 ' O ' HG23 ' B' ' 68' ' ' ILE . 3.9 tt0 -110.28 104.1 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.5 144.22 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' B' ' 69' ' ' SER . 19.4 mt -118.56 -57.03 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.54 137.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -119.1 94.66 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 7.3 t -100.14 92.29 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 -73.42 116.87 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.896 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.12 -36.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -50.14 72.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' B' ' 85' ' ' LEU . 5.8 m-85 -70.54 -36.16 73.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.557 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -39.63 152.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 p -125.57 -46.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 26.5 t80 -146.46 156.3 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.639 ' HE2' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -167.29 130.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.78 -152.42 6.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.501 ' O ' ' CE ' ' B' ' 34' ' ' MET . 0.9 OUTLIER -133.75 160.34 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.414 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -83.07 -117.6 0.59 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -90.99 -30.87 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.82 139.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' B' ' 96' ' ' THR . 9.1 m -70.42 -36.55 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -42.75 -28.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.426 ' N ' ' C ' ' B' ' 94' ' ' VAL . 61.0 p -96.51 155.3 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.674 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 34.7 t80 -157.95 116.68 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.844 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -117.8 164.56 14.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.607 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.4 p90 -155.95 143.01 19.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -95.06 134.35 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptm -128.95 145.2 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.539 0.209 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.77 140.35 46.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.591 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 41.0 t -111.92 135.13 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.2 m-70 -123.23 113.58 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.844 HG22 ' HB2' ' B' ' 98' ' ' ALA . 36.4 t -91.98 161.96 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.9 m-85 -152.09 159.8 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 12.1 t-105 -116.46 105.35 12.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.553 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.3 m -104.05 151.4 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -132.4 136.99 28.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.96 -54.27 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.997 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -110.3 168.84 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.82 31.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.616 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -68.1 -41.56 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.19 -42.4 46.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.984 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.3 t -63.68 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.0 p -52.62 -37.48 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.0 -55.59 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -52.77 -22.2 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.984 HG23 ' O ' ' B' ' 122' ' ' VAL . 16.3 t -93.48 -36.38 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.57 -48.06 70.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.98 66.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.64 -53.78 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.728 ' SG ' HG22 ' B' ' 82' ' ' VAL . 19.9 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' B' ' 94' ' ' VAL . 20.9 mt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 m -45.8 -55.16 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -41.79 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.459 ' O ' ' HE2' ' B' ' 34' ' ' MET . 5.0 mtt -81.74 -44.94 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.416 ' HA ' HG22 ' B' ' 90' ' ' VAL . 2.0 mt-30 -40.31 -53.59 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 1.5 pp0? -111.57 163.07 14.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.82 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . 94.42 164.54 35.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -105.54 134.39 48.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' B' ' 61' ' ' ALA . 40.7 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -56.96 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 63.71 149.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.833 ' O ' HG13 ' B' ' 20' ' ' VAL . 68.0 m-85 -157.23 92.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.475 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 1.1 tmm_? -60.93 97.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.833 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.0 m -123.26 -162.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.571 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 mt-30 -112.74 171.15 7.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.3 113.42 18.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.559 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -74.13 -34.77 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.52 -177.75 17.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -102.04 127.13 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.16 134.01 22.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 151.4 39.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.9 m -139.76 -175.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -123.8 -50.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -95.35 150.36 37.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.91 9.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.67 139.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' B' ' 36' ' ' THR . . . 155.93 102.32 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' A' ' 14' ' ' MET . 3.6 tpt -45.95 -34.52 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.17 -39.29 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 9.0 m -74.27 -28.32 61.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -71.49 -66.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.73 -45.61 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 t -40.25 -48.18 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.59 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -42.02 -53.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 46' ' ' THR . 24.5 mt-10 -58.84 -38.13 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.7 OUTLIER -66.4 -71.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.732 ' HG ' HD23 ' B' ' 26' ' ' LEU . 29.1 mt -43.85 -39.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.435 ' HE1' ' CH2' ' B' ' 53' ' ' TRP . 3.7 mmt -50.87 -43.32 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.407 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.8 t -99.95 -8.09 24.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.437 ' N ' ' O ' ' B' ' 43' ' ' ASN . 0.0 OUTLIER -93.26 11.33 28.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m 179.59 152.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -83.66 173.6 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.83 -33.23 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.47 -1.74 57.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -5.59 48.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.595 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -91.42 112.92 56.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 154.2 41.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -81.15 141.78 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -143.07 177.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -124.24 108.94 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.3 ttm -84.02 99.04 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' B' ' 66' ' ' THR . 12.4 m-20 -77.8 126.6 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.464 HG11 ' O ' ' B' ' 125' ' ' ALA . 34.7 t -131.37 103.15 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -108.31 -148.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -36.49 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.874 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -135.22 66.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 54.9 m -157.17 146.38 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.475 HG21 HG13 ' B' ' 126' ' ' VAL . 42.0 t -132.88 98.43 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 59' ' ' ASN . 98.4 m -109.06 142.3 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.01 92.66 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.409 HG23 ' C ' ' B' ' 75' ' ' GLU . 9.6 mt -90.15 148.61 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.762 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.2 OUTLIER -57.05 148.45 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.475 ' OE2' ' CD ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -67.75 -56.26 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.16 56.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 6.5 m-20 163.94 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.5 -4.09 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 2.08 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.409 ' C ' HG23 ' B' ' 68' ' ' ILE . 24.2 tt0 -98.05 92.23 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -76.28 141.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' B' ' 69' ' ' SER . 22.2 mt -111.97 -52.6 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.37 144.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -124.21 94.38 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' B' ' 85' ' ' LEU . 8.6 t -96.2 97.45 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' B' ' 84' ' ' PHE . 13.1 mmt180 -78.46 118.8 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.874 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -48.09 -26.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -73.8 -36.88 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.9 m-85 -84.87 -34.1 22.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -43.45 150.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -130.58 -52.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.416 ' HB3' HD12 ' B' ' 100' ' ' ILE . 9.2 t80 -130.08 144.75 51.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.616 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -161.26 127.68 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.99 -150.23 6.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 15' ' ' GLN . 1.7 m -130.15 161.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.41 -120.51 1.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.58 -19.68 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.4 138.73 53.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.717 ' HB ' HD13 ' A' ' 11' ' ' LEU . 20.3 m -75.98 -2.34 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 1.0 OUTLIER -85.54 -11.15 54.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.6 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 72.8 p -114.2 124.55 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' B' ' 126' ' ' VAL . 18.7 t80 -121.02 114.79 22.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.659 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -114.45 150.74 34.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.592 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 8.0 p90 -146.48 142.11 27.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.2 mt -95.92 123.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptm -118.21 138.74 52.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.537 0.208 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.87 130.21 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.417 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 48.2 t -96.67 121.33 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.4 m-70 -115.33 106.94 14.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' B' ' 98' ' ' ALA . 25.1 t -90.45 165.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.4 m-85 -156.58 161.44 39.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -113.01 109.64 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -102.05 147.88 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 37.4 mt-10 -131.33 129.99 22.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.621 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -75.06 -58.02 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.031 0.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -104.82 -177.23 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -106.22 55.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.57 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -87.41 -47.3 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -70.84 -50.7 32.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.669 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.9 t -54.05 -71.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.483 ' N ' HG12 ' B' ' 122' ' ' VAL . 60.7 p -38.75 -50.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 127' ' ' GLN . 17.8 tt0 -60.73 -58.17 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.464 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -43.06 -28.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 122' ' ' VAL . 4.4 t -93.25 -40.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' B' ' 124' ' ' GLU . 39.5 tt0 -61.75 -31.69 71.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.34 -20.11 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.5 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' B' ' 82' ' ' VAL . 6.1 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.332 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' B' ' 120' ' ' ALA . 17.2 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 11.1 t -38.44 -44.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -63.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.72 -38.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG2' HG22 ' B' ' 90' ' ' VAL . 22.9 mt-30 -61.29 -56.49 19.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 12' ' ' SER . 2.1 mp0 -77.72 -95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -40.51 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.14 -179.4 23.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 53.5 t80 -123.07 129.49 51.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -53.05 34.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.584 ' O ' HG13 ' B' ' 20' ' ' VAL . 42.3 m-85 -156.98 93.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.62 99.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.584 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.9 m -126.63 -162.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.415 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -107.51 167.1 10.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.48 101.57 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.732 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -61.48 -40.78 95.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.408 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 129.81 -177.76 17.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.462 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -100.18 131.3 46.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.05 134.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 127.98 11.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 m -114.1 179.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.65 -56.64 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 157.19 34.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.504 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.3 Cg_endo -75.03 -12.24 21.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.81 177.08 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 120.63 3.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -64.48 -32.43 74.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 111.036 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -21.37 60.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.2 m -82.31 -31.16 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 tp -73.02 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.7 m-80 -42.88 -53.54 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -38.95 -44.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -58.96 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.554 HD13 ' N ' ' B' ' 91' ' ' GLY . 12.0 mt -50.33 -46.5 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.49 -39.21 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.551 ' CG ' HD11 ' B' ' 26' ' ' LEU . 1.2 t30 -62.54 -70.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' B' ' 23' ' ' LEU . 52.6 mt -45.99 -48.98 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.409 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.2 OUTLIER -37.7 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -82.57 -44.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.66 160.33 14.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.454 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 61.3 m -90.06 178.92 6.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.6 OUTLIER -74.75 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -33.47 70.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -44.64 79.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.8 m0 -53.8 109.44 1.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.018 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.03 37.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -84.07 130.2 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.18 164.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 95.3 m-20 -110.79 109.83 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.8 ttm -83.56 108.27 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.85 132.5 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.479 HG11 ' HB1' ' B' ' 125' ' ' ALA . 53.1 t -135.16 102.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.3 -168.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 61' ' ' ALA . 19.2 t0 -36.77 -56.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.861 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -152.33 69.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 44.9 m -159.83 141.98 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.434 HG21 HG13 ' B' ' 126' ' ' VAL . 53.5 t -131.09 96.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 78' ' ' VAL . 57.7 m -111.98 147.9 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.602 HG12 HD12 ' B' ' 77' ' ' LEU . 89.1 t -114.34 100.81 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.4 mt -98.76 147.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.464 ' HA ' HD11 ' B' ' 77' ' ' LEU . 5.1 t -57.9 132.77 54.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER -46.33 -51.25 15.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -48.64 134.56 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -96.55 -5.7 38.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.91 18.93 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -112.8 88.98 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.453 ' O ' HD23 ' B' ' 77' ' ' LEU . 7.3 p -68.64 152.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.602 HD12 HG12 ' B' ' 67' ' ' VAL . 19.6 mt -122.15 -53.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 2.2 t -141.81 142.03 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.58 94.34 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.675 ' SG ' HD12 ' B' ' 85' ' ' LEU . 13.3 t -95.33 94.33 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.3 mpt_? -68.25 113.83 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.861 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.6 -27.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.8 OUTLIER -71.79 -44.3 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 9.2 m-30 -78.82 -35.23 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.675 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -40.02 135.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -105.3 -61.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 54.2 t80 -130.92 160.95 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.892 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.6 137.08 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.33 -146.09 5.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 15' ' ' GLN . 1.6 m -131.3 168.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.554 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -92.37 -95.83 1.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -111.12 -32.07 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.68 -29.62 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -52.71 -22.18 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.572 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 22.0 p -98.1 157.94 15.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.528 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.8 t80 -158.41 113.34 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.764 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -115.82 165.16 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.2 p90 -159.26 144.31 15.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.504 HG21 ' HA ' ' B' ' 31' ' ' PRO . 4.3 mt -97.46 139.53 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -139.07 145.12 39.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.491 0.186 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.37 131.15 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 49.4 t -104.11 114.71 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.2 m-70 -110.52 108.12 17.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.608 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.764 HG22 ' HB2' ' B' ' 98' ' ' ALA . 41.8 t -90.38 162.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 43.5 m-85 -152.0 169.28 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -127.55 108.3 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.796 ' SG ' HG21 ' B' ' 122' ' ' VAL . 21.9 m -103.06 157.19 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -136.1 132.82 19.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -58.69 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.013 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -103.77 176.93 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -98.27 30.18 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -65.56 -45.54 82.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -73.76 -46.9 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.854 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.4 t -60.54 -59.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 119' ' ' ALA . 54.6 p -52.54 -39.51 61.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' B' ' 126' ' ' VAL . 7.2 tp10 -68.15 -59.4 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.479 ' HB1' HG11 ' B' ' 60' ' ' VAL . . . -44.18 -27.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.892 HG12 ' HE1' ' B' ' 88' ' ' MET . 11.9 t -93.2 -41.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -56.76 -31.71 64.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.404 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -86.61 -42.22 13.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 62' ' ' ASP . . . -49.61 -40.47 39.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.692 ' SG ' HG22 ' B' ' 82' ' ' VAL . 65.2 m . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 108.301 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.902 HD11 ' HB2' ' B' ' 120' ' ' ALA . 59.7 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -38.87 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.44 -60.49 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.3 mtt -53.48 -23.38 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -66.31 -25.98 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -120.84 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 10.3 m-80 -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.77 -179.34 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 57.1 t80 -123.51 133.03 54.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.517 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 21.1 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.407 ' C ' ' HE3' ' B' ' 17' ' ' LYS . 0.1 OUTLIER -81.1 -44.47 17.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.517 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 67.68 148.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 52.1 m-85 -155.07 104.65 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 116.16 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.559 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.2 m -144.95 -162.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.559 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -113.84 167.42 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -122.28 113.72 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.505 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -74.87 -35.07 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.21 177.95 15.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' B' ' 111' ' ' HIS . 4.0 tmm? -91.48 138.58 31.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.752 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.955 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -126.06 133.55 25.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.955 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.98 128.3 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.13 -172.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 -52.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -91.26 147.17 34.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.21 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.56 168.16 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.26 141.78 7.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 82.6 mmm -81.35 -42.23 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.92 -22.03 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -89.71 -45.03 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.51 -63.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -50.64 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -40.63 -54.45 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.71 -59.89 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.581 HD13 ' N ' ' B' ' 91' ' ' GLY . 4.9 mt -47.04 -52.85 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.401 ' O ' HG22 ' B' ' 46' ' ' THR . 3.7 mt-10 -60.25 -33.45 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -70.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.633 ' HG ' HD23 ' B' ' 26' ' ' LEU . 14.6 mt -47.51 -43.1 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.8 mmt -41.65 -60.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.401 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.2 t -79.47 -32.43 42.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -44.23 -65.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -114.41 -177.4 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.5 m -94.06 -178.99 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.73 -35.93 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.3 -30.68 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -59.34 -41.04 88.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -55.88 109.63 1.77 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.17 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -86.73 134.24 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.14 -178.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.4 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 35.1 m-20 -133.52 108.92 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.415 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 25.6 ttm -82.67 99.04 9.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.779 ' ND2' HD12 ' B' ' 68' ' ' ILE . 8.3 m-80 -76.29 120.36 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.415 ' CG2' ' HG2' ' B' ' 58' ' ' MET . 24.4 t -125.03 109.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.45 -150.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.59 -67.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 1.006 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -150.15 67.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 74.1 m -158.74 142.83 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 80' ' ' CYS . 39.9 t -128.71 101.19 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.2 m -114.15 133.55 55.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.557 HG12 HD12 ' B' ' 77' ' ' LEU . 77.9 t -100.23 101.42 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.779 HD12 ' ND2' ' B' ' 59' ' ' ASN . 32.5 mt -99.33 148.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.634 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.4 t -59.15 134.15 56.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.4 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.61 -55.0 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -71.6 122.59 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.496 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.4 tt0 -88.41 -13.87 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -104.07 32.06 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.51 87.88 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.41 ' O ' HD23 ' B' ' 77' ' ' LEU . 2.8 p -61.91 151.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.634 HD11 ' HA ' ' B' ' 69' ' ' SER . 12.5 mt -121.04 -50.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.33 138.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.424 ' O ' ' CE ' ' B' ' 101' ' ' MET . 8.4 tt0 -118.66 94.4 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.656 ' SG ' HD12 ' B' ' 85' ' ' LEU . 10.5 t -95.96 87.67 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 21.8 mmt180 -66.27 116.22 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 1.006 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.92 -34.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -66.19 -45.17 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' B' ' 81' ' ' ARG . 14.8 m-85 -75.34 -36.83 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.656 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.61 140.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.0 p -112.93 -56.42 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.036 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 48.7 t80 -136.03 153.94 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.532 ' HE2' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -160.76 127.08 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.12 -156.91 9.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.521 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.8 m -123.74 167.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.581 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -93.61 -97.88 1.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -108.22 -30.52 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.461 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -106.51 152.61 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.2 m -84.6 -25.72 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.461 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 1.7 m80 -64.1 -12.42 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 33.1 p -104.93 144.09 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.666 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.7 t80 -148.54 113.7 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -112.8 170.54 8.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.599 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.8 p90 -163.8 143.03 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.2 mt -95.4 134.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 25.8 ptm -132.78 139.35 47.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.49 0.186 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -118.02 146.75 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.423 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 11.9 t -118.37 129.72 55.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.579 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.0 m-70 -119.36 110.78 17.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' B' ' 98' ' ' ALA . 21.5 t -90.06 164.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.0 m-85 -154.26 166.55 32.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . 0.568 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 16.3 t-105 -125.0 93.45 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' B' ' 122' ' ' VAL . 26.4 m -83.95 160.65 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.8 mt-10 -141.67 131.32 12.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -74.97 -60.84 0.06 OUTLIER 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.991 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.438 ' CB ' HG23 ' B' ' 94' ' ' VAL . 14.1 p-10 -103.35 170.32 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.47 28.47 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.902 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -60.94 -42.15 97.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' B' ' 124' ' ' GLU . 2.0 m120 -77.55 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.886 ' O ' HG23 ' B' ' 126' ' ' VAL . 1.7 t -41.47 -54.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.8 p -58.17 -38.32 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 121' ' ' ASN . 21.5 tt0 -69.62 -62.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -41.96 -28.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 122' ' ' VAL . 21.3 t -92.11 -42.83 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 124' ' ' GLU . 51.4 tt0 -57.22 -37.15 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.24 -26.96 32.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 126' ' ' VAL . . . -53.35 -58.83 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' B' ' 82' ' ' VAL . 87.0 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' B' ' 120' ' ' ALA . 89.2 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -46.76 -42.32 16.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -62.61 -38.99 92.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.44 ' HE1' ' CB ' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -80.36 -9.64 59.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' B' ' 90' ' ' VAL . 1.5 mt-30 -80.11 -20.62 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 -51.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.58 -21.56 65.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 43.88 -169.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 85.0 t80 -138.26 137.61 37.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CG ' HG11 ' B' ' 32' ' ' VAL . 4.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.96 HG22 ' HB2' ' B' ' 61' ' ' ALA . 24.6 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -39.13 22.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.516 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 64.5 149.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' B' ' 17' ' ' LYS . 52.3 m-85 -162.14 93.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' B' ' 70' ' ' GLU . 1.7 tmm_? -70.55 102.43 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 21' ' ' GLN . 3.3 m -126.3 -164.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.407 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 tt0 -106.52 170.72 7.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.11 112.12 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.55 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -75.51 -33.62 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.507 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 125.91 -175.09 17.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.529 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -103.79 127.45 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.98 133.93 22.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.94 137.06 21.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 17.3 m -126.2 -174.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -54.6 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -89.66 151.6 45.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.8 8.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.492 HG11 ' CG ' ' A' ' 20' ' ' GLU . 25.9 m -129.91 159.9 41.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.74 134.01 3.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mmm -77.44 -41.6 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -26.22 9.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 18.8 m -90.05 -33.93 16.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.75 -60.3 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.422 ' HA ' HD12 ' B' ' 41' ' ' ILE . 2.1 m-80 -49.7 -53.61 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.53 -49.86 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.64 19.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' B' ' 38' ' ' ASN . 27.2 mt -49.08 -46.59 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.444 ' O ' HG22 ' B' ' 46' ' ' THR . 5.5 mt-10 -62.85 -46.85 85.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.506 ' ND2' HD11 ' B' ' 26' ' ' LEU . 2.0 t-20 -55.93 -65.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.704 ' HG ' HD23 ' B' ' 26' ' ' LEU . 25.5 mt -49.63 -53.5 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.539 ' CE ' HG21 ' B' ' 96' ' ' THR . 3.6 mmt -37.28 -66.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.492 HG23 ' N ' ' B' ' 47' ' ' SER . 5.5 t -69.25 -53.24 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.492 ' N ' HG23 ' B' ' 46' ' ' THR . 2.4 m -36.91 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 45' ' ' MET . 69.1 m -91.46 164.66 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 51.4 m -88.16 176.85 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.82 -36.74 42.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.66 -25.36 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -36.41 84.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -55.67 110.69 2.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.01 41.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -79.94 128.77 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.17 168.72 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 99.6 m-20 -115.15 112.12 22.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.486 ' SD ' HG13 ' B' ' 65' ' ' VAL . 15.2 tpp -88.85 101.64 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -78.83 132.31 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 37.7 t -134.7 102.4 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.96 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -102.69 -154.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 36.2 t0 -39.23 -71.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 1.045 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -143.37 67.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.533 HG23 ' HD3' ' B' ' 81' ' ' ARG . 87.3 m -157.8 146.07 19.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.599 HG21 HG13 ' B' ' 126' ' ' VAL . 37.9 t -133.11 102.86 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.6 m -114.17 146.19 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.588 HG12 HD12 ' B' ' 77' ' ' LEU . 71.4 t -115.36 97.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.446 HG21 ' O ' ' B' ' 73' ' ' GLU . 11.8 mt -98.26 147.4 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.654 ' HA ' HD11 ' B' ' 77' ' ' LEU . 4.6 t -56.46 128.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.956 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' B' ' 19' ' ' ARG . 0.4 OUTLIER -42.92 -52.31 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.82 120.29 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.446 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.0 OUTLIER -85.7 -13.18 49.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -106.9 18.86 21.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.01 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.543 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.0 p -64.65 155.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' B' ' 69' ' ' SER . 11.2 mt -126.29 -52.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.13 131.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.227 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -114.13 94.02 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.798 ' SG ' HD12 ' B' ' 85' ' ' LEU . 6.7 t -96.45 98.46 10.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.533 ' HD3' HG23 ' B' ' 64' ' ' THR . 18.1 mmt85 -77.48 118.72 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 1.045 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -46.75 -27.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -74.04 -39.18 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.0 m-85 -81.33 -37.93 27.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.798 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.41 152.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 33.9 p -129.08 -55.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' B' ' 100' ' ' ILE . 12.5 t80 -127.03 151.91 47.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.586 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -163.62 119.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.86 -158.77 9.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.569 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -124.55 170.66 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.569 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -96.65 -121.56 4.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -81.87 -30.62 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.02 139.42 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.49 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -44.98 -29.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.72 HG22 ' CE3' ' B' ' 114' ' ' TRP . 71.9 p -100.94 139.66 36.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.583 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 15.7 t80 -139.12 119.12 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.752 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -119.66 168.22 11.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.5 p90 -160.61 145.55 14.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' B' ' 87' ' ' PHE . 3.7 mt -95.9 124.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -121.73 143.62 49.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.7 t70 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.501 0.191 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -128.33 128.64 44.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.06 118.81 36.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 90.4 m-70 -113.56 110.39 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.752 HG22 ' HB2' ' B' ' 98' ' ' ALA . 33.6 t -90.78 160.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 64.8 m-85 -153.85 148.63 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . 0.72 ' CE3' HG22 ' B' ' 96' ' ' THR . 65.3 t-105 -101.93 117.73 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.569 ' SG ' HG21 ' B' ' 122' ' ' VAL . 56.6 m -107.1 151.65 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.0 mt-10 -134.25 128.62 19.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -57.88 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.974 0.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -103.77 172.11 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -96.91 40.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -73.78 -63.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.57 -36.53 74.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -67.13 -66.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.414 ' N ' HG12 ' B' ' 122' ' ' VAL . 77.8 p -48.82 -40.05 27.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.934 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -70.25 -54.2 13.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.6 -26.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 122' ' ' VAL . 13.3 t -93.57 -50.79 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.417 ' NE2' ' HE3' ' A' ' 13' ' ' LYS . 2.4 tt0 -54.84 -30.07 56.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.43 -27.17 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.21 86.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' B' ' 82' ' ' VAL . 7.7 m . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' B' ' 120' ' ' ALA . 83.5 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -39.56 -52.19 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.049 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -48.34 -51.67 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.2 mtt -60.02 -49.01 79.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -44.04 -33.35 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -111.64 -92.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 3.7 m-80 -33.65 -63.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.67 -175.01 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 43.3 t80 -127.32 132.48 50.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -56.78 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 69.38 148.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.723 ' O ' HG13 ' B' ' 20' ' ' VAL . 43.2 m-85 -157.3 92.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.07 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.723 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.6 m -127.52 -162.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.429 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.1 tt0 -107.75 171.5 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.448 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.5 t80 -127.42 99.29 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.617 HD22 HG11 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -62.5 -44.88 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.38 -172.91 21.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.545 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 5.7 ttp -107.78 136.23 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -122.38 133.45 24.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 143.25 28.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.68 -168.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -48.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.82 150.03 36.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.77 11.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.53 142.49 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.31 115.55 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.91 -29.58 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -28.04 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -72.23 -57.19 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -60.33 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -49.36 -50.02 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -49.7 4.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.42 -65.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.617 HG12 HG13 ' B' ' 112' ' ' VAL . 19.8 mt -44.43 -47.42 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.26 -36.86 73.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.475 ' CG ' HD11 ' B' ' 26' ' ' LEU . 1.0 OUTLIER -67.51 -67.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.661 ' HG ' HD23 ' B' ' 26' ' ' LEU . 10.5 mt -49.84 -47.08 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -36.81 -44.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -98.94 -38.24 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.92 -45.7 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -128.75 161.52 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -79.71 176.83 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.624 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -73.28 -43.03 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.27 -38.5 71.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -36.21 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.624 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 20.8 m0 -60.27 111.15 3.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 107.973 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.97 169.97 21.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.401 ' C ' HG13 ' B' ' 56' ' ' VAL . 2.4 t -95.63 149.77 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.401 HG13 ' C ' ' B' ' 55' ' ' SER . 28.4 m -152.3 169.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 82.6 m-20 -113.61 107.29 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' HG13 ' B' ' 65' ' ' VAL . 18.4 tpp -82.52 103.56 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -77.58 129.79 36.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.482 HG11 ' O ' ' B' ' 125' ' ' ALA . 69.5 t -132.12 99.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -101.27 -161.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' B' ' 61' ' ' ALA . 60.6 t0 -36.96 -66.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.962 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -145.75 68.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 89.0 m -158.78 146.01 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.633 HG21 HG13 ' B' ' 126' ' ' VAL . 42.6 t -133.55 97.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -112.46 138.76 48.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.488 HG12 HD12 ' B' ' 77' ' ' LEU . 73.0 t -107.49 97.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 10.6 mt -92.96 148.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.747 ' HA ' HD11 ' B' ' 77' ' ' LEU . 3.6 t -56.85 138.26 53.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -50.07 -61.22 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.38 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -53.27 132.58 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -97.24 -18.62 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -105.79 40.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -139.53 85.04 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.479 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.7 p -61.56 154.45 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.747 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.4 mt -122.98 -52.44 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -140.01 131.1 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -113.45 93.81 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.8 t -96.8 91.05 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' B' ' 84' ' ' PHE . 14.8 mmt180 -70.32 114.46 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.962 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -41.02 -37.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -47.91 80.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 81' ' ' ARG . 22.4 m-85 -71.02 -39.36 72.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.74 144.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 14.6 p -115.3 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' B' ' 88' ' ' MET . 4.9 t80 -142.28 156.69 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.624 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -160.9 135.85 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.8 -156.18 9.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.424 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -122.5 164.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.424 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -90.49 -112.44 1.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' B' ' 93' ' ' ASP . 0.0 OUTLIER -92.16 -33.26 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -118.86 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' B' ' 96' ' ' THR . 33.4 m -53.33 -39.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.465 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 6.8 m80 -38.83 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.647 HG22 ' CE3' ' B' ' 114' ' ' TRP . 16.2 p -95.68 146.05 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.597 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 42.1 t80 -143.09 113.56 7.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' B' ' 111' ' ' HIS . . . -112.24 172.71 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.3 p90 -168.15 143.25 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mt -94.8 134.89 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptm -135.2 147.31 49.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 29.8 t0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' B' ' 109' ' ' GLU . 5.5 mp0 -118.33 129.49 55.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.97 119.09 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.0 m-70 -103.02 164.5 11.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.546 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.617 HG11 HD22 ' B' ' 23' ' ' LEU . 13.8 t -140.65 153.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 29.7 m-85 -150.3 154.11 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . 0.647 ' CE3' HG22 ' B' ' 96' ' ' THR . 66.2 t-105 -111.32 115.34 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.667 ' SG ' HG21 ' B' ' 122' ' ' VAL . 12.6 m -109.95 161.76 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 49.4 mt-10 -140.81 133.58 14.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.1 Cg_endo -75.01 -59.3 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.005 0.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -106.84 166.34 10.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.448 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -92.74 51.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -85.29 -48.05 9.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -73.43 -36.38 65.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.923 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -63.06 -72.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.597 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 4.9 m -47.3 -33.23 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 10.2 tt0 -68.58 -59.91 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.482 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -51.43 -22.05 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.923 HG23 ' O ' ' B' ' 122' ' ' VAL . 8.3 t -89.17 -59.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.47 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -47.57 -37.27 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.7 -35.98 73.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 126' ' ' VAL . . . -55.11 -49.57 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.605 ' SG ' HG22 ' B' ' 82' ' ' VAL . 23.2 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.329 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' B' ' 120' ' ' ALA . 89.0 mt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -24.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ASN . 13.3 tttt -78.71 -69.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -16.38 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.429 ' CD ' HG12 ' B' ' 94' ' ' VAL . 1.3 mt-30 -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -144.47 -46.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 m120 -59.6 -22.24 61.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.89 -157.68 3.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -163.45 135.98 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.872 HG22 ' HB2' ' B' ' 61' ' ' ALA . 66.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -39.25 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 64.39 150.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 56.8 m-85 -159.82 91.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -67.53 104.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.433 HG13 ' O ' ' B' ' 18' ' ' PHE . 4.0 m -130.07 -164.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.27 171.5 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.99 108.93 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.642 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 -170.47 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -108.99 126.33 52.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.16 134.02 21.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -75.02 144.52 30.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.402 ' HB ' HG23 ' B' ' 36' ' ' THR . 6.8 m -135.03 175.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -113.98 -55.4 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -89.79 149.25 41.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.435 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -29.82 7.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.61 129.31 66.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.51 134.67 1.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -40.29 52.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -34.94 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.402 HG23 ' HB ' ' B' ' 28' ' ' VAL . 1.0 OUTLIER -68.61 -25.63 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.481 HD21 ' H ' ' B' ' 89' ' ' GLY . 11.2 tp -79.25 -58.24 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.34 -44.55 72.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -44.06 -46.47 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -64.2 -64.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -41.33 -50.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -61.58 -40.51 95.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -62.42 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.613 ' HG ' HD23 ' B' ' 26' ' ' LEU . 50.5 mt -52.63 -45.87 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 1.4 mmt -40.47 -48.58 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -90.01 -38.41 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -39.55 -66.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -108.34 -175.51 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 33.1 m -99.68 171.54 7.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.69 -31.57 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.65 -30.02 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.68 -41.55 95.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.6 m0 -49.74 110.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 158.06 42.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -84.04 133.98 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.37 -177.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 77.1 m-20 -130.35 109.13 10.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.2 ttm -84.44 102.34 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.473 ' ND2' HD12 ' B' ' 68' ' ' ILE . 5.2 m-80 -79.4 129.22 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -132.97 104.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.872 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -105.51 -154.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' B' ' 61' ' ' ALA . 11.2 t70 -39.99 -67.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.998 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -147.43 67.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 60.6 m -158.86 134.13 8.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.471 HG21 HG13 ' B' ' 126' ' ' VAL . 49.7 t -121.94 96.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.604 HG23 ' HG3' ' B' ' 79' ' ' GLU . 25.1 m -110.31 148.79 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' B' ' 77' ' ' LEU . 61.6 t -115.52 101.13 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.473 HD12 ' ND2' ' B' ' 59' ' ' ASN . 14.7 mt -101.01 137.22 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.79 ' HA ' HD11 ' B' ' 77' ' ' LEU . 4.8 t -41.81 151.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -67.5 -57.38 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' B' ' 69' ' ' SER . 60.7 m-20 -72.93 140.61 47.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -0.97 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.43 2.13 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 68' ' ' ILE . 16.4 tt0 -102.14 99.23 9.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.915 ' O ' HD23 ' B' ' 77' ' ' LEU . 3.1 p -68.99 162.91 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.915 HD23 ' O ' ' B' ' 76' ' ' VAL . 15.2 mt -134.62 -48.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 t -146.65 142.33 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' B' ' 66' ' ' THR . 4.2 tt0 -124.41 95.05 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.633 ' SG ' HD12 ' B' ' 85' ' ' LEU . 13.6 t -96.15 92.22 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' B' ' 84' ' ' PHE . 22.5 mmt180 -78.44 116.32 18.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.998 HG21 ' HB1' ' B' ' 63' ' ' ALA . 24.2 m -38.59 -45.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.404 ' N ' HG23 ' B' ' 82' ' ' VAL . 0.2 OUTLIER -52.97 -50.74 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' B' ' 81' ' ' ARG . 29.5 m-85 -72.6 -37.25 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.633 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -43.2 144.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 87.5 p -118.01 -51.79 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -140.6 152.91 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.599 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -160.51 130.7 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.063 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.481 ' H ' HD21 ' B' ' 37' ' ' LEU . . . -165.0 -156.64 9.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.492 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -127.53 166.74 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.492 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -88.75 -117.49 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -91.95 -29.8 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.21 136.8 48.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.496 ' HB ' HD13 ' A' ' 11' ' ' LEU . 5.5 m -74.81 -3.43 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 11.7 m80 -76.87 -19.6 57.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 71.7 p -102.35 160.92 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.595 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 53.9 t80 -157.68 113.65 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.879 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.97 156.48 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -150.1 141.89 23.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.88 124.29 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -121.46 148.06 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 17.7 m-85 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.477 0.18 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -116.98 128.25 55.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.684 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 30.4 t -99.29 116.43 31.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.562 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.2 m-70 -107.55 109.1 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.879 HG22 ' HB2' ' B' ' 98' ' ' ALA . 41.8 t -90.3 158.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.7 m-85 -151.5 148.36 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -103.28 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.036 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -111.16 153.61 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.57 130.9 19.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.623 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -74.94 -58.55 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.014 -0.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -102.89 167.2 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.84 52.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.72 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -85.43 -51.13 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -64.22 -41.08 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.952 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -60.83 -67.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.595 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 3.7 m -53.12 -32.41 47.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 8.0 tp10 -70.68 -53.72 14.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.497 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -56.53 -19.5 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 122' ' ' VAL . 14.9 t -93.59 -53.57 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -52.22 -24.18 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.83 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.59 85.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 90.7 m . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' B' ' 120' ' ' ALA . 54.4 mt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 9.1 m -39.84 -48.73 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -51.89 -48.7 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.2 mtt -71.55 -13.27 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.459 ' HG2' HG22 ' B' ' 90' ' ' VAL . 4.3 mt-30 -87.05 -18.81 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -129.46 -96.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 16' ' ' GLN . 8.4 m-80 -34.67 -58.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.45 177.84 42.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -121.85 139.15 53.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.691 ' HB ' ' HB2' ' B' ' 61' ' ' ALA . 2.8 p . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' B' ' 17' ' ' LYS . 13.7 mt-30 -83.64 -56.49 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 16' ' ' GLN . 56.1 mttt 69.2 145.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 96.7 m-85 -157.24 103.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -71.84 98.75 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.402 HG23 ' N ' ' B' ' 21' ' ' GLN . 3.2 m -123.65 -165.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.7 tt0 -105.02 171.08 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.72 110.01 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.674 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -70.72 -33.62 71.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.67 -176.0 16.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.481 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -100.49 128.59 46.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 1.008 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.64 134.69 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 1.008 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 142.53 27.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' B' ' 108' ' ' PHE . 17.1 m -131.61 -168.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.43 -56.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mmt-85 -89.21 150.49 45.06 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.477 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.4 Cg_endo -75.04 -19.22 17.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.74 143.25 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.11 137.18 2.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -38.22 45.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.89 -36.59 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -64.09 -40.26 95.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.02 -70.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.8 m-80 -40.98 -50.98 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.9 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.483 HD13 ' N ' ' B' ' 91' ' ' GLY . 9.8 mt -42.38 -47.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.402 ' O ' HG22 ' B' ' 46' ' ' THR . 12.5 mt-10 -62.02 -44.75 96.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.653 ' ND2' HD11 ' B' ' 26' ' ' LEU . 1.7 t-20 -57.68 -69.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' B' ' 23' ' ' LEU . 16.8 mt -46.25 -52.49 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.02 -66.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.45 HG23 ' N ' ' B' ' 47' ' ' SER . 5.2 t -69.79 -50.69 40.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' HG23 ' B' ' 46' ' ' THR . 0.4 OUTLIER -38.79 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -78.96 -175.59 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 68.1 m -105.37 -176.93 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.6 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -82.07 -34.28 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.63 -29.0 56.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.92 -42.26 97.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.6 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -50.8 110.3 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.82 40.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.06 130.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.92 -177.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 85.9 m-20 -131.27 112.66 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.608 ' HG2' HG23 ' B' ' 60' ' ' VAL . 26.9 ttm -84.11 99.76 10.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' B' ' 65' ' ' VAL . 5.5 m-80 -78.35 117.48 19.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.608 HG23 ' HG2' ' B' ' 58' ' ' MET . 84.0 t -130.16 102.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.691 ' HB2' ' HB ' ' B' ' 15' ' ' VAL . . . -118.38 -139.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -32.65 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.83 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -146.53 59.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.411 HG23 ' HD3' ' B' ' 81' ' ' ARG . 97.0 m -151.72 123.41 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.423 HG22 HG22 ' B' ' 60' ' ' VAL . 66.3 t -108.43 97.45 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.624 ' CG2' HG13 ' B' ' 76' ' ' VAL . 92.1 m -110.88 141.55 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 77' ' ' LEU . 94.0 t -105.65 98.67 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.814 HG21 ' O ' ' B' ' 73' ' ' GLU . 35.1 mt -93.26 145.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.571 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.7 OUTLIER -57.68 140.11 52.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.035 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.401 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -60.66 -62.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -61.0 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -178.95 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.814 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.5 OUTLIER -136.29 -44.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.57 22.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -114.25 97.77 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.624 HG13 ' CG2' ' B' ' 66' ' ' THR . 81.2 t -75.02 153.79 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' B' ' 69' ' ' SER . 23.8 mt -122.39 -52.66 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.5 t -135.99 136.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.421 ' HG3' HG23 ' B' ' 66' ' ' THR . 1.4 tt0 -117.25 94.8 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.698 ' SG ' HD12 ' B' ' 85' ' ' LEU . 12.0 t -97.52 98.15 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' B' ' 82' ' ' VAL . 10.4 mmt180 -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.83 HG21 ' HB1' ' B' ' 63' ' ' ALA . 21.7 m -38.54 -51.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.452 ' N ' HG23 ' B' ' 82' ' ' VAL . 3.5 mtp180 -47.8 -51.57 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' B' ' 81' ' ' ARG . 8.2 m-85 -70.45 -41.56 72.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.698 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -45.07 142.11 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 4.3 p -117.49 -54.85 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.649 ' HB3' HD12 ' B' ' 100' ' ' ILE . 13.3 t80 -133.78 152.36 51.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.893 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -158.36 133.89 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.46 -151.61 8.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.469 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.9 m -130.52 165.75 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.483 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -87.26 -106.45 0.87 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.47 135.53 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' B' ' 96' ' ' THR . 20.8 m -62.59 -38.48 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' B' ' 94' ' ' VAL . 5.3 m80 -39.58 -32.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.41 ' N ' ' C ' ' B' ' 94' ' ' VAL . 40.5 p -92.22 155.33 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.652 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 25.6 t80 -154.62 116.63 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.756 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -121.0 163.16 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.58 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.6 p90 -156.41 143.65 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.63 125.87 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.404 ' SD ' ' CD2' ' B' ' 111' ' ' HIS . 28.7 ptm -123.92 147.65 47.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 51.5 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 13.0 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.521 0.201 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -129.09 132.44 47.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.47 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 42.6 t -104.27 105.14 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.6 m-70 -99.45 107.74 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.574 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.756 HG22 ' HB2' ' B' ' 98' ' ' ALA . 30.7 t -90.09 160.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 42.9 m-85 -151.36 164.34 36.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -119.74 109.63 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.02 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.72 161.83 14.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.9 mt-10 -142.77 136.16 14.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.0 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.973 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 118' ' ' ASN . 8.0 p-10 -110.1 167.15 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.52 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -93.18 45.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.829 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -86.01 -31.75 21.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -84.28 -41.37 16.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.867 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.2 t -64.98 -64.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.431 ' N ' HG12 ' B' ' 122' ' ' VAL . 9.8 p -49.41 -31.86 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -74.89 -52.71 10.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.592 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.03 -18.73 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.893 HG12 ' HE1' ' B' ' 88' ' ' MET . 18.9 t -93.73 -37.84 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.84 -41.37 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.78 -59.05 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.101 HD11 ' HB2' ' B' ' 120' ' ' ALA . 38.0 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 2.7 m -62.31 -13.56 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' ASN . 1.5 ttpt -87.02 -70.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.437 ' HA ' ' CA ' ' A' ' 18' ' ' GLY . 10.7 mtt -47.68 -24.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -51.41 -57.32 9.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -115.36 -39.83 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.4 m-80 -69.86 -20.57 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 44.52 -167.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 93.0 t80 -144.1 139.58 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -47.48 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 47.9 mttt 64.27 149.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.641 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 56.1 m-85 -159.68 104.07 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 118.56 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.5 m -146.83 -166.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.454 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.2 tt0 -108.53 170.9 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . 0.4 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.0 OUTLIER -122.32 113.76 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -77.71 -46.76 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.29 177.62 15.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ttp -96.93 128.91 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 1.009 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -114.52 134.48 22.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 1.009 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 142.29 27.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' B' ' 110' ' ' CYS . 18.7 m -137.28 -168.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -82.54 150.83 64.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.12 9.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.34 151.45 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 128.83 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.13 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 -21.53 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -84.77 -26.93 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -77.56 -66.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.9 m-80 -40.71 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -38.77 -42.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.063 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.491 HD13 ' N ' ' B' ' 91' ' ' GLY . 4.1 mt -41.18 -51.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.61 -40.88 80.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.48 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.6 OUTLIER -61.45 -69.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' B' ' 23' ' ' LEU . 26.8 mt -47.79 -48.86 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -38.01 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.454 HG23 ' N ' ' B' ' 47' ' ' SER . 4.6 t -68.72 -51.16 44.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.454 ' N ' HG23 ' B' ' 46' ' ' THR . 0.5 OUTLIER -36.94 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.969 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -80.78 177.9 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 46.9 m -100.29 177.49 5.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -79.64 -36.59 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.4 -21.11 53.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.68 -40.77 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 17.5 m0 -50.62 106.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.96 147.19 33.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 147.49 40.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.73 177.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -121.37 107.22 12.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.52 ' SD ' HG13 ' B' ' 65' ' ' VAL . 20.7 tpp -82.49 106.42 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -84.25 117.4 23.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.605 HG11 ' O ' ' B' ' 125' ' ' ALA . 39.2 t -117.46 97.75 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -93.78 -168.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -39.05 -58.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.04 65.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.4 m -160.08 137.44 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.744 HG21 HG13 ' B' ' 126' ' ' VAL . 40.1 t -125.98 96.39 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.642 HG23 ' HG3' ' B' ' 79' ' ' GLU . 26.5 m -111.05 147.25 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.519 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 77.7 t -116.74 99.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 17.8 mt -94.19 147.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.693 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.5 OUTLIER -56.91 130.32 45.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.41 -53.56 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -65.06 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.41 122.39 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -4.2 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.3 29.76 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -126.56 89.87 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.427 HG23 ' CG2' ' B' ' 66' ' ' THR . 12.5 p -64.98 147.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.693 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.5 mt -120.3 -52.9 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 t -138.35 139.91 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.642 ' HG3' HG23 ' B' ' 66' ' ' THR . 5.1 tt0 -125.87 95.68 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.626 ' SG ' HD12 ' B' ' 85' ' ' LEU . 22.7 t -95.28 88.93 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.511 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 1.4 mpt_? -63.73 112.26 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -40.71 -44.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -57.57 -44.84 85.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.511 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 14.0 m-30 -75.9 -30.99 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.626 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.7 OUTLIER -49.29 131.19 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 -60.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' B' ' 88' ' ' MET . 12.2 t80 -138.68 163.8 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.643 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.5 OUTLIER -169.91 131.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.67 -151.08 5.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.515 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -127.56 167.17 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.515 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -87.46 -106.59 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.99 -31.78 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.04 147.02 33.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.465 ' HB ' HD22 ' A' ' 11' ' ' LEU . 11.7 m -77.07 -3.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.631 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 6.1 m80 -77.02 -23.32 52.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.0 p -96.22 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' B' ' 126' ' ' VAL . 25.0 t80 -155.87 112.65 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' B' ' 111' ' ' HIS . . . -110.69 169.83 8.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' B' ' 99' ' ' PHE . 5.3 p90 -163.41 141.5 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -94.62 129.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.6 ptm -125.49 148.43 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.483 0.183 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -124.31 133.33 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.454 ' HB2' HG11 ' B' ' 28' ' ' VAL . 53.6 t -107.76 110.99 22.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.455 ' O ' ' HB1' ' B' ' 98' ' ' ALA . 97.4 m-70 -100.64 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.635 HG12 HD13 ' B' ' 23' ' ' LEU . 5.1 t -143.77 152.97 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 25.6 m-85 -148.82 156.47 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -106.73 116.35 31.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.44 151.23 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.7 OUTLIER -135.51 128.68 18.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.631 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -59.76 0.11 OUTLIER 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 0.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -101.3 177.16 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.49 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -102.65 43.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 1.101 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -86.03 -31.66 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -89.7 -17.53 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.693 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.2 t -87.18 -71.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.557 ' N ' HG12 ' B' ' 122' ' ' VAL . 18.6 p -45.26 -32.56 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' B' ' 127' ' ' GLN . 27.2 tp10 -68.58 -60.3 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.641 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -48.75 -24.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.744 HG13 HG21 ' B' ' 65' ' ' VAL . 4.4 t -93.22 -31.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' B' ' 124' ' ' GLU . 5.9 tt0 -74.84 -26.98 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.446 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -88.28 -16.64 32.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.39 -45.64 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.414 ' HA ' HG22 ' B' ' 82' ' ' VAL . 3.5 m . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' B' ' 120' ' ' ALA . 66.9 mt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.26 -34.18 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -68.05 -35.65 78.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.1 mtt -84.11 -11.64 56.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.61 -35.99 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.6 OUTLIER -115.04 -84.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 12.2 m-80 -39.95 -54.13 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.46 -144.25 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -165.02 136.09 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -57.58 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 18' ' ' PHE . 41.5 mttt 69.18 148.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.42 ' O ' HG13 ' B' ' 20' ' ' VAL . 59.6 m-85 -161.91 104.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -70.63 110.3 5.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.487 HG11 ' SG ' ' B' ' 115' ' ' CYS . 2.5 m -136.25 -165.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.472 ' N ' HG23 ' B' ' 20' ' ' VAL . 2.0 tt0 -109.08 171.26 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.41 106.84 9.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.744 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -65.64 -39.48 91.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.54 17.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.404 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -99.96 128.24 46.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.95 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.63 134.04 23.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.95 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 148.25 34.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.79 -167.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -60.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -86.39 152.45 55.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.14 13.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.7 158.73 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.34 136.06 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.55 -49.99 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 111.023 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -39.24 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.8 m -62.17 -33.42 74.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -72.75 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -40.65 -53.32 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -48.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.32 -67.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' B' ' 45' ' ' MET . 13.6 mt -43.76 -46.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.441 ' O ' HG22 ' B' ' 46' ' ' THR . 4.1 mt-10 -63.81 -37.19 86.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.6 OUTLIER -67.44 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' B' ' 112' ' ' VAL . 34.6 mt -50.5 -36.11 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.2 mmt -53.74 -42.24 67.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.441 HG22 ' O ' ' B' ' 42' ' ' GLU . 1.9 t -100.48 -8.94 22.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' ' O ' ' B' ' 43' ' ' ASN . 1.1 t -74.12 -52.77 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -126.09 171.17 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 38.9 m -87.21 -172.96 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -83.46 -37.06 23.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.9 -29.57 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.61 -41.27 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.2 m0 -53.71 109.03 1.29 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.53 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -75.37 131.18 40.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 171.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -119.17 108.63 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.415 ' SD ' HG13 ' B' ' 65' ' ' VAL . 18.0 tpp -82.31 99.18 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -78.67 133.16 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.545 HG11 ' O ' ' B' ' 125' ' ' ALA . 20.0 t -136.87 107.18 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.57 -150.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.954 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.52 66.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 51.3 m -158.94 133.7 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.82 HG21 HG13 ' B' ' 126' ' ' VAL . 78.1 t -120.96 99.15 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.57 HG23 ' HG3' ' B' ' 79' ' ' GLU . 40.1 m -115.08 134.46 55.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.658 HG21 ' CE2' ' B' ' 113' ' ' PHE . 44.6 t -105.13 102.88 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -96.27 149.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.555 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.9 OUTLIER -58.25 122.29 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.89 -59.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -60.8 119.05 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.92 -7.94 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.4 26.94 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -133.89 100.32 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.11 152.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' B' ' 69' ' ' SER . 42.2 mt -118.94 -51.97 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.79 137.47 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.57 ' HG3' HG23 ' B' ' 66' ' ' THR . 6.0 tt0 -120.97 94.57 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.1 t -99.37 88.54 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' B' ' 84' ' ' PHE . 7.8 mmt85 -69.66 114.09 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.954 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.26 -39.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' B' ' 81' ' ' ARG . 9.3 m-85 -71.78 -38.68 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.45 143.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.267 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 3.1 p -119.21 -51.98 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.963 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -137.31 157.01 47.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.536 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.26 141.27 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.86 -149.17 7.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.549 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.9 m -127.82 171.33 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.549 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -101.03 -107.5 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -99.04 -29.55 12.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.407 ' O ' ' OG1' ' B' ' 96' ' ' THR . 0.4 OUTLIER -119.98 111.21 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' B' ' 95' ' ' HIS . 9.7 m -40.39 -42.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' B' ' 94' ' ' VAL . 2.0 m80 -38.7 -35.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.0 p -91.05 130.53 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.49 ' HB2' ' CB ' ' B' ' 119' ' ' ALA . 40.7 t80 -129.85 113.06 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.701 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -109.05 165.9 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.615 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.0 p90 -164.87 142.62 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -94.55 129.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 26.5 ptm -119.98 147.71 44.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.478 0.18 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 156.17 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 35.3 t -114.73 152.06 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.584 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.8 m-70 -140.47 109.83 6.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.744 HG12 HD13 ' B' ' 23' ' ' LEU . 37.0 t -93.8 162.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' B' ' 67' ' ' VAL . 33.8 m-85 -151.92 174.11 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . 0.518 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 26.6 t-105 -132.89 94.16 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.52 ' SG ' HG11 ' B' ' 122' ' ' VAL . 14.7 m -94.79 161.2 14.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 10.8 mt-10 -137.21 134.05 18.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.05 -54.91 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.999 0.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -112.92 169.21 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' B' ' 122' ' ' VAL . . . -91.32 27.38 1.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.992 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -69.42 -33.22 72.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -79.18 -38.55 35.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.966 ' O ' HG23 ' B' ' 126' ' ' VAL . 0.9 OUTLIER -74.93 -51.08 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.534 ' N ' ' CG2' ' B' ' 122' ' ' VAL . 98.3 p -56.47 -39.48 73.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.7 -36.3 73.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.545 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -71.95 -22.93 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.966 HG23 ' O ' ' B' ' 122' ' ' VAL . 19.9 t -93.28 -45.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.421 ' HB2' ' HE3' ' A' ' 14' ' ' MET . 32.7 tt0 -62.72 -41.52 99.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.89 -23.11 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 125' ' ' ALA . . . -68.25 -41.67 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.824 ' SG ' HG22 ' B' ' 82' ' ' VAL . 12.8 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' B' ' 120' ' ' ALA . 81.0 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 19.6 m -43.37 -33.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.1 mtt -72.42 -28.9 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -53.3 -32.77 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -127.29 -82.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 2.7 m-80 -34.51 -44.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.2 -170.95 46.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.518 ' CE1' ' HE2' ' B' ' 88' ' ' MET . 53.4 t80 -137.69 129.3 28.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' OE2' HG11 ' B' ' 32' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' B' ' 61' ' ' ALA . 22.1 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -39.09 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 63.42 151.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 24.3 m-85 -159.17 94.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -71.11 100.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.87 -165.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.1 tt0 -104.3 170.74 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 106.09 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.646 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -68.12 -35.04 77.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.91 -170.71 18.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.0 ttp -107.2 130.67 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.999 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -119.69 134.24 23.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.999 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 146.1 32.28 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.437 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 16.4 m -137.81 165.75 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.47 -51.65 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -99.31 153.95 37.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.59 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.2 Cg_endo -75.0 -25.02 12.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.469 HG11 ' OE2' ' A' ' 20' ' ' GLU . 23.4 m -130.72 164.4 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.52 125.8 2.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -30.48 68.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.83 -32.22 70.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.437 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 98.3 m -76.35 -51.7 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.4 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -42.2 -50.04 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -50.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -59.25 -68.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.529 HD13 ' N ' ' B' ' 91' ' ' GLY . 20.9 mt -39.85 -49.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.439 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -57.75 -70.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.7 mt -45.53 -51.82 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.411 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.1 mmt -36.91 -61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.405 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.0 t -75.88 -40.66 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 46' ' ' THR . 1.9 t -39.02 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -106.04 -176.38 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.508 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 50.3 m -95.33 -174.18 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.59 -36.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.93 -19.82 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -37.34 77.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.59 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 8.6 m0 -57.05 110.49 2.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.3 37.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -85.35 133.11 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.35 168.55 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -118.1 107.31 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 ttm -83.76 103.7 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -79.33 128.87 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.521 HG11 ' HB1' ' B' ' 125' ' ' ALA . 26.2 t -131.89 106.67 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -105.86 -154.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.44 -59.29 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.897 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -152.53 67.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 19.9 m -158.01 136.91 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.703 HG21 HG13 ' B' ' 126' ' ' VAL . 53.1 t -125.71 96.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.557 HG23 ' HG3' ' B' ' 79' ' ' GLU . 21.6 m -111.17 145.34 38.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.454 HG12 HD12 ' B' ' 77' ' ' LEU . 83.1 t -110.77 99.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.746 HG23 ' O ' ' B' ' 75' ' ' GLU . 46.7 mt -95.94 144.57 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.746 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -56.22 127.09 29.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -61.97 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.92 118.76 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.419 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.8 OUTLIER -84.98 -9.47 58.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 25.34 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.746 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.7 OUTLIER -122.81 108.17 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.473 ' O ' HD23 ' B' ' 77' ' ' LEU . 90.4 t -79.49 149.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.746 HD11 ' HA ' ' B' ' 69' ' ' SER . 17.4 mt -123.2 -49.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -141.0 142.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.557 ' HG3' HG23 ' B' ' 66' ' ' THR . 2.7 tt0 -124.06 97.14 5.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.7 ' SG ' HD12 ' B' ' 85' ' ' LEU . 10.5 t -96.83 99.06 10.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 0.8 OUTLIER -81.86 114.05 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.897 HG21 ' HB1' ' B' ' 63' ' ' ALA . 35.8 m -40.31 -33.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -50.47 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 20.2 m-85 -77.91 -19.13 55.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.7 HD12 ' SG ' ' B' ' 80' ' ' CYS . 1.4 tt -63.58 136.71 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -111.4 -65.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.511 ' HB3' HD12 ' B' ' 100' ' ' ILE . 7.5 t80 -120.14 154.62 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.524 ' HB3' HD21 ' B' ' 85' ' ' LEU . 0.0 OUTLIER -168.54 119.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 -138.1 2.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.543 HG23 ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -136.95 167.77 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.543 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -91.62 -99.84 1.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -104.71 -32.97 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.523 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -107.03 140.17 40.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.5 m -73.36 -24.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.523 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 2.9 m80 -60.29 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -103.03 157.15 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.68 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 38.7 t80 -158.38 118.14 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.736 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -122.5 163.82 19.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.1 p90 -157.3 141.48 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.59 HG21 ' HA ' ' B' ' 31' ' ' PRO . 4.6 mt -95.06 124.76 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -120.54 142.93 48.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.488 0.185 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -121.28 132.45 54.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 51.4 t -105.65 117.0 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.326 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 91.5 m-70 -110.24 112.8 24.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.736 HG22 ' HB2' ' B' ' 98' ' ' ALA . 33.0 t -92.65 164.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 59.1 m-85 -155.89 155.57 33.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -111.99 107.59 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.5 m -103.84 151.96 22.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 53.2 mt-10 -134.14 134.38 22.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.029 -0.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.455 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.4 p30 -107.31 169.59 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.94 41.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.819 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -75.04 -42.91 56.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -74.27 -49.59 22.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.792 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -53.64 -66.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.427 ' N ' HG12 ' B' ' 122' ' ' VAL . 58.8 p -44.04 -52.9 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.64 -54.11 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.533 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.74 -29.62 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.792 HG23 ' O ' ' B' ' 122' ' ' VAL . 6.1 t -90.01 -37.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.406 ' HA ' ' HE3' ' B' ' 88' ' ' MET . 4.2 tt0 -57.84 -38.07 74.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.99 -22.27 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.526 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -74.02 -25.75 60.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.962 HD11 ' HB2' ' B' ' 120' ' ' ALA . 83.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 46.4 t -38.19 -35.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -71.28 -55.17 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -52.62 -21.07 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG2' HG22 ' B' ' 90' ' ' VAL . 6.0 mt-30 -69.93 -42.82 72.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -103.86 -84.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.488 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 4.9 m-80 -39.27 -53.91 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.7 -162.63 49.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 65.3 t80 -139.26 130.75 27.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -60.28 -50.38 73.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 56.3 mttt 59.39 154.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' B' ' 17' ' ' LYS . 73.4 m-85 -161.96 103.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 110.81 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.419 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.6 m -140.1 -167.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.437 ' CB ' ' HB3' ' B' ' 114' ' ' TRP . 1.1 tt0 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.81 118.44 27.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.7 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -79.21 -32.91 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.85 -169.56 15.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.457 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -106.13 125.27 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.12 133.76 22.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.06 158.3 42.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -144.75 -177.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.17 -45.09 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -104.77 154.36 38.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.26 4.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.698 HG12 ' HB2' ' B' ' 87' ' ' PHE . 34.6 m -124.64 165.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.31 125.65 2.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -70.68 -22.22 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -36.18 50.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -69.53 -51.8 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.544 HD21 ' C ' ' B' ' 89' ' ' GLY . 2.8 tp -50.76 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -47.71 -48.35 29.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.28 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' B' ' 45' ' ' MET . 25.1 mt -40.41 -50.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.7 -43.31 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.55 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -59.46 -70.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.626 ' HG ' HD23 ' B' ' 26' ' ' LEU . 22.2 mt -46.33 -50.12 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.5 mmt -36.57 -57.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -81.24 -36.83 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -40.73 -67.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -109.87 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 74.8 m -95.29 -178.49 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.97 -38.94 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.37 -31.93 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.51 -43.29 99.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.605 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 26.3 m0 -48.37 105.83 0.54 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.01 36.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.27 145.42 35.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.79 -176.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -128.8 110.47 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.536 ' HG2' HG23 ' B' ' 60' ' ' VAL . 22.7 ttm -82.85 105.71 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -80.96 116.14 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.536 HG23 ' HG2' ' B' ' 58' ' ' MET . 40.6 t -120.77 98.67 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -98.73 -163.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 2.6 t0 -40.42 -49.07 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 1.014 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -161.64 68.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 20.8 m -160.31 125.85 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.682 HG21 HG13 ' B' ' 126' ' ' VAL . 53.5 t -116.53 95.75 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.808 HG23 ' HG3' ' B' ' 79' ' ' GLU . 20.9 m -114.38 144.73 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.592 HG21 ' HZ ' ' B' ' 113' ' ' PHE . 94.0 t -110.02 97.59 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.5 HG23 ' O ' ' B' ' 75' ' ' GLU . 38.6 mt -94.67 142.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.665 ' HA ' HD11 ' B' ' 77' ' ' LEU . 2.2 t -51.59 142.92 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -56.98 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -59.44 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -81.56 121.28 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.464 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.0 OUTLIER -92.25 -1.45 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.77 11.3 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.5 ' O ' HG23 ' B' ' 68' ' ' ILE . 1.3 tt0 -118.72 107.58 13.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.625 HG13 HG22 ' B' ' 66' ' ' THR . 51.0 t -75.24 157.89 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' B' ' 69' ' ' SER . 17.9 mt -126.76 -48.28 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -143.26 145.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.808 ' HG3' HG23 ' B' ' 66' ' ' THR . 0.9 OUTLIER -128.71 110.02 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.6 t -114.08 88.65 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.4 mpt_? -71.59 123.04 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 1.014 HG21 ' HB1' ' B' ' 63' ' ' ALA . 10.9 m -43.47 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' B' ' 81' ' ' ARG . 71.8 mmt-85 -68.71 -46.6 68.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' B' ' 81' ' ' ARG . 12.1 m-85 -78.04 -39.74 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.569 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.11 128.23 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . 0.407 ' OG ' HG22 ' B' ' 100' ' ' ILE . 5.7 p -99.02 -58.13 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.698 ' HB2' HG12 ' B' ' 32' ' ' VAL . 71.1 t80 -145.03 153.03 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.777 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.4 OUTLIER -155.3 139.63 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . 0.544 ' C ' HD21 ' B' ' 37' ' ' LEU . . . -166.52 -163.38 20.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.498 HG22 ' HG2' ' A' ' 15' ' ' GLN . 2.0 m -121.06 163.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.406 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -92.0 -131.33 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.54 -22.63 50.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.16 139.1 52.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.03 -17.0 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -68.05 -12.63 61.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.637 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 62.3 p -111.66 132.88 54.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.51 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 64.0 t80 -131.41 119.1 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.597 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -118.03 166.81 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.602 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.5 p90 -161.44 148.06 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.407 HG22 ' OG ' ' B' ' 86' ' ' SER . 3.4 mt -100.03 138.66 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.502 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 2.3 ppp? -131.28 159.37 38.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.2 t70 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.525 0.202 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.23 145.11 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.8 t -116.52 118.05 31.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.56 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.7 m-70 -109.21 123.81 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.7 HG12 HD13 ' B' ' 23' ' ' LEU . 17.6 t -104.48 165.97 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.592 ' HZ ' HG21 ' B' ' 67' ' ' VAL . 53.2 m-85 -153.6 163.57 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . 0.513 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 45.3 t-105 -118.56 105.62 11.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.36 159.88 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 4.3 mt-10 -141.73 130.33 12.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -62.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.013 -0.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -96.94 176.16 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -104.84 38.07 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.962 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -74.09 -53.85 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.57 -40.17 96.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.581 HG12 ' N ' ' B' ' 123' ' ' SER . 2.1 t -66.05 -71.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.581 ' N ' HG12 ' B' ' 122' ' ' VAL . 72.6 m -45.93 -29.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 37.3 tp10 -74.56 -52.03 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.514 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -53.68 -24.35 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.777 HG12 ' HE1' ' B' ' 88' ' ' MET . 11.9 t -93.37 -39.84 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -63.48 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.7 30.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.81 -51.43 64.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.046 HD11 ' HB2' ' B' ' 120' ' ' ALA . 18.1 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 22.8 t -41.89 -31.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 19.9 pttt -80.35 -49.78 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.425 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 1.6 mtt -59.53 -12.26 6.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' B' ' 90' ' ' VAL . 3.0 mt-30 -74.17 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -106.2 -42.35 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' LYS . 15.6 m-80 -73.73 -8.45 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 35.47 -151.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 90.1 t80 -161.46 137.5 8.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 54.2 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -61.41 -50.06 74.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 16' ' ' GLN . 56.5 mttt 60.85 148.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 77.1 m-85 -157.55 104.98 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 118.58 14.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.515 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -147.76 -162.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.515 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 mt-30 -112.66 169.09 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.73 99.76 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.443 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -61.06 -36.46 79.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.44 -175.23 18.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttp -103.45 131.05 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 1.03 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.91 133.58 23.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 1.03 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 144.59 30.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.48 -165.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.51 -57.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -80.11 151.26 72.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.66 6.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 m -136.27 149.51 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.37 123.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.515 ' HE1' ' O ' ' B' ' 90' ' ' VAL . 0.0 OUTLIER -71.62 -23.22 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.79 -24.01 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -81.01 -46.98 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' B' ' 40' ' ' ALA . 2.6 tp -59.07 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -46.15 -48.31 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 37' ' ' LEU . . . -80.33 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.533 HD13 ' N ' ' B' ' 91' ' ' GLY . 9.4 mt -40.78 -41.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.429 ' O ' HG22 ' B' ' 46' ' ' THR . 8.2 mt-10 -69.8 -50.7 40.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -60.28 3.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.594 ' HG ' HD23 ' B' ' 26' ' ' LEU . 54.0 mt -53.04 -52.79 57.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mmt -39.31 -65.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.44 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.1 t -67.83 -46.9 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 46' ' ' THR . 40.8 t -35.89 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -95.39 -176.79 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.524 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 57.2 m -96.59 -178.3 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.083 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.97 -39.09 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.91 -26.87 49.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.29 -31.4 70.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.607 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 9.5 m0 -63.53 112.31 6.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 168.03 25.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -94.42 131.38 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.19 -175.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -132.24 107.38 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.0 ttm -83.03 105.08 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -85.62 128.69 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.707 HG11 ' O ' ' B' ' 125' ' ' ALA . 21.9 t -132.2 101.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -104.83 -149.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -37.09 -84.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -135.15 65.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -157.65 144.06 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.697 HG21 HG13 ' B' ' 126' ' ' VAL . 38.4 t -128.39 100.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.51 HG23 ' HG3' ' B' ' 79' ' ' GLU . 50.8 m -113.81 129.92 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 23.5 t -101.54 103.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mt -99.49 155.54 4.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.609 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -60.44 146.02 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -55.32 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.89 -77.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 1.5 m120 -40.75 -68.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 2.5 tt0 85.96 -13.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -122.69 11.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -108.86 95.02 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.436 HG23 ' CG2' ' B' ' 66' ' ' THR . 13.1 p -54.28 138.12 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' B' ' 69' ' ' SER . 12.9 mt -117.08 -57.61 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.19 126.18 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.51 ' HG3' HG23 ' B' ' 66' ' ' THR . 9.7 tt0 -112.27 94.02 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.5 t -96.98 91.27 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.574 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 12.4 mmt180 -69.37 124.29 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -55.34 -19.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -81.4 -27.08 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 21.2 m-85 -98.56 -32.51 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.75 135.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . 0.403 ' OG ' ' CG2' ' B' ' 100' ' ' ILE . 89.8 p -102.55 -66.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.043 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' B' ' 88' ' ' MET . 57.0 t80 -135.54 165.19 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' B' ' 130' ' ' CYS . 0.0 OUTLIER -169.7 134.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.63 -161.47 10.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.515 ' O ' ' HE1' ' B' ' 34' ' ' MET . 1.8 m -126.69 146.76 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.533 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -69.42 -136.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -81.52 -6.4 58.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.22 137.51 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.573 ' O ' ' HB3' ' B' ' 119' ' ' ALA . 17.3 m -68.89 -22.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -61.08 -21.25 63.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 68.0 p -104.07 134.46 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.584 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 48.2 t80 -134.59 115.52 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.476 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -112.46 171.54 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.575 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.1 p90 -169.79 146.2 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.0 mt -95.12 148.84 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 ptm -141.8 151.55 42.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.545 0.212 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.3 147.4 35.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -119.68 135.4 54.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' B' ' 98' ' ' ALA . 92.6 m-70 -121.5 161.45 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.569 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.3 t -144.71 151.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' B' ' 67' ' ' VAL . 12.7 m-85 -145.41 161.96 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -115.07 109.62 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.049 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' B' ' 122' ' ' VAL . 23.1 m -95.07 162.16 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.255 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.427 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.2 mt-10 -141.12 125.11 10.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -63.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.989 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -93.54 171.02 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' B' ' 94' ' ' VAL . . . -101.23 44.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 1.046 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -81.41 -59.22 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -57.03 -30.67 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -75.1 -65.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.584 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 37.3 m -51.0 -37.2 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.41 -53.52 23.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.707 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -54.4 -20.64 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 122' ' ' VAL . 14.7 t -93.34 -45.33 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -40.53 97.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.6 63.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.17 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 53.5 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' B' ' 94' ' ' VAL . 95.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -44.02 -27.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.01 -55.6 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.54 -13.36 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -79.31 -10.23 59.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -157.71 -75.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -41.6 -28.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 52.97 -173.4 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -136.09 139.4 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.655 HG22 ' HB2' ' B' ' 61' ' ' ALA . 20.4 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -39.54 20.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 63.2 151.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.64 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 31.9 m-85 -159.31 95.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 107.45 4.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.35 -167.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.54 168.84 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.69 117.12 24.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.476 ' O ' HD22 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -79.91 -40.64 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.15 -174.27 20.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ttp -104.65 127.59 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 1.004 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.81 133.78 23.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 1.004 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -75.02 156.42 42.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' B' ' 110' ' ' CYS . 16.7 m -144.84 -163.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -61.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -86.38 154.31 56.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.423 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.4 Cg_endo -74.98 -17.8 19.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.83 178.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.84 126.39 3.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.77 80.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.93 -44.71 96.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.6 m -55.43 -25.93 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.08 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' SER . 5.1 m-80 -41.98 -47.72 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' ASN . 5.9 t -38.64 -52.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.63 -67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.489 HG12 HG13 ' B' ' 112' ' ' VAL . 6.1 mt -43.31 -54.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -54.04 -40.09 66.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -70.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.665 ' HG ' HD23 ' B' ' 26' ' ' LEU . 17.6 mt -47.7 -46.52 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -37.58 -40.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -104.46 -32.55 8.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -39.95 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m -131.36 168.65 17.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 52.7 m -97.16 168.73 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.577 ' HD3' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.26 -39.56 68.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.09 -16.37 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.03 -44.32 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.577 ' CE3' ' HD3' ' B' ' 50' ' ' LYS . 27.0 m0 -45.61 107.05 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.74 19.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.1 p -92.64 133.63 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.7 -177.25 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' B' ' 70' ' ' GLU . 17.1 m-20 -132.15 112.81 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.4 ttm -91.62 105.74 17.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -83.68 125.63 32.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.534 HG11 ' O ' ' B' ' 125' ' ' ALA . 24.6 t -127.05 106.53 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.655 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -106.29 -155.32 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -40.94 -66.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.974 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -147.5 68.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -158.56 144.4 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.443 HG21 HG13 ' B' ' 126' ' ' VAL . 38.9 t -132.18 100.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.75 HG23 ' HG3' ' B' ' 79' ' ' GLU . 28.2 m -117.22 140.15 49.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.547 HG12 HD12 ' B' ' 77' ' ' LEU . 65.9 t -106.98 100.37 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.479 HG23 ' O ' ' B' ' 75' ' ' GLU . 40.3 mt -95.76 142.46 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.768 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -52.14 143.98 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' OD1' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.68 -56.53 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.8 -67.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' B' ' 69' ' ' SER . 42.1 m-20 -94.42 124.49 38.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.78 40.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -44.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.479 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.2 OUTLIER -62.03 113.76 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.449 ' O ' HD23 ' B' ' 77' ' ' LEU . 73.0 t -77.83 152.54 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' B' ' 69' ' ' SER . 18.3 mt -121.78 -52.56 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -140.12 143.52 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.75 ' HG3' HG23 ' B' ' 66' ' ' THR . 0.7 OUTLIER -127.76 96.78 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.677 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.5 t -98.67 89.96 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.481 ' CZ ' ' HG2' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -64.0 113.72 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.974 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -44.78 -27.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.9 OUTLIER -72.07 -43.73 64.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.2 m-30 -75.82 -38.7 57.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.677 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -39.39 151.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -128.33 -55.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' B' ' 100' ' ' ILE . 11.3 t80 -129.96 158.14 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.711 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.83 132.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.35 -150.95 6.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.148 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.473 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -129.16 166.03 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.473 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -84.35 -101.86 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -109.49 -22.68 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.04 146.95 41.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.71 ' HB ' HD13 ' A' ' 11' ' ' LEU . 3.3 m -79.47 -3.78 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 22.0 m80 -76.87 -24.93 52.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 43.3 p -98.5 161.15 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 29.6 t80 -158.51 113.16 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -111.88 173.09 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.57 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -169.61 143.68 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.5 mt -95.18 131.18 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.5 ptm -119.37 140.76 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.509 0.195 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -112.39 151.32 29.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.455 ' HB2' HG11 ' B' ' 28' ' ' VAL . 13.4 t -118.36 152.72 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' B' ' 98' ' ' ALA . 94.1 m-70 -135.88 164.53 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.604 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 4.6 t -148.61 152.24 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 14.9 m-85 -148.19 161.26 41.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -114.1 111.05 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -107.35 152.36 24.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 108.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.8 134.11 20.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.568 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -74.98 -54.93 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.0 0.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.588 ' CB ' HG23 ' B' ' 94' ' ' VAL . 16.4 p30 -107.9 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -103.06 32.2 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.599 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -67.23 -32.28 73.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -83.74 -49.32 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.785 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -56.39 -61.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.8 p -52.05 -37.8 54.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.9 -56.4 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.64 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -49.23 -24.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.785 HG23 ' O ' ' B' ' 122' ' ' VAL . 20.9 t -93.68 -39.57 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -63.88 -33.41 75.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.07 -26.9 33.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.438 ' CB ' HG21 ' B' ' 82' ' ' VAL . . . -68.04 -49.72 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' B' ' 120' ' ' ALA . 21.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.404 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.18 -26.61 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.39 69.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mtt -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.63 -28.57 47.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.85 -83.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.501 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 4.3 m-80 -36.52 -47.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.93 -177.28 31.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -125.96 135.64 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.476 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 45.9 mttt 65.86 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.68 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 58.8 m-85 -156.88 103.66 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 114.69 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.508 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -143.2 -163.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.508 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -112.97 164.02 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -118.96 118.56 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.624 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -79.17 -33.63 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.73 -176.17 16.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.426 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -102.37 130.57 49.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.953 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.48 134.31 22.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.953 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.95 136.39 20.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -130.97 -170.42 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.59 -62.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -79.85 146.38 64.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.43 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.03 -19.86 17.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.39 150.98 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 140.78 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -45.19 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.73 67.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -71.45 -43.4 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.597 HD22 ' HE1' ' B' ' 87' ' ' PHE . 6.6 tp -65.5 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.65 -52.23 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.29 -50.82 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.7 -70.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.63 HD13 ' N ' ' B' ' 91' ' ' GLY . 8.9 mt -40.18 -47.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.35 -45.65 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -59.97 -64.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 26' ' ' LEU . 57.5 mt -50.65 -50.11 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.8 mmt -36.92 -56.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.2 t -82.01 -33.84 29.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.408 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 3.7 t -43.97 -63.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -117.13 -178.16 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -94.37 -176.54 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.0 OUTLIER -78.5 -38.12 41.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -29.79 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -40.27 86.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.4 m0 -55.79 110.78 2.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.73 38.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -85.46 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.6 m -131.21 174.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -120.69 108.25 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 ttm -82.2 102.93 11.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -80.49 132.88 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.623 HG11 ' O ' ' B' ' 125' ' ' ALA . 25.0 t -136.98 98.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.96 -157.45 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.6 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.492 ' HB1' ' CG1' ' B' ' 82' ' ' VAL . . . -140.48 66.64 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -158.46 148.35 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.517 HG21 HG13 ' B' ' 126' ' ' VAL . 47.5 t -133.58 96.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.3 m -108.33 151.4 26.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 77' ' ' LEU . 79.9 t -119.86 106.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.485 HG21 ' O ' ' B' ' 73' ' ' GLU . 2.9 mt -104.33 149.61 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.7 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -60.62 134.23 56.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -52.63 55.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.59 -79.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.83 125.71 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.485 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.2 OUTLIER -89.41 -15.61 32.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.3 27.44 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -127.99 87.99 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.426 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.1 p -60.59 151.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' B' ' 69' ' ' SER . 24.6 mt -121.46 -53.53 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' B' ' 111' ' ' HIS . 2.1 t -143.17 141.74 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -120.61 93.96 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.662 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.4 t -98.21 96.48 8.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -76.87 120.13 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.688 HG22 ' SG ' ' B' ' 130' ' ' CYS . 1.1 t -51.08 -22.53 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -75.81 -41.43 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -85.19 -29.68 24.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.662 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -44.16 135.72 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 61.0 p -104.3 -60.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 88' ' ' MET . 13.1 t80 -132.32 158.16 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -166.46 130.9 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.79 -139.35 2.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.466 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -135.67 164.57 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.63 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -87.8 -94.36 0.97 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -112.06 -37.08 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 142.86 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' B' ' 118' ' ' ASN . 4.7 m -76.18 -16.14 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -68.66 -10.65 57.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.655 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.516 HG22 ' CE3' ' B' ' 114' ' ' TRP . 41.6 p -111.7 157.94 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.604 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 53.4 t80 -157.67 115.23 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.737 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.66 171.07 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.6 p90 -163.08 143.92 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.33 142.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . 0.55 ' CG ' ' HG3' ' B' ' 109' ' ' GLU . 25.2 ptm -145.52 144.64 30.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' B' ' 31' ' ' PRO . 20.0 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.523 0.201 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . 0.55 ' HG3' ' CG ' ' B' ' 101' ' ' MET . 12.6 pt-20 -126.29 131.53 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.602 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 52.5 t -101.08 124.19 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.2 m-70 -111.97 109.73 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.737 HG22 ' HB2' ' B' ' 98' ' ' ALA . 38.6 t -89.71 163.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.1 m-85 -153.94 166.7 32.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . 0.516 ' CE3' HG22 ' B' ' 96' ' ' THR . 61.0 t-105 -122.08 111.78 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.487 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.5 m -110.36 156.01 21.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 7.6 mt-10 -136.65 135.5 20.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.02 -55.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.982 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.425 ' CB ' HG23 ' B' ' 94' ' ' VAL . 29.7 p30 -107.67 177.59 4.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.601 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -100.85 48.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -84.25 -39.08 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.43 -43.2 27.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.913 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.4 t -62.51 -61.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 26.3 p -52.5 -36.15 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.51 -55.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.68 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.53 -22.12 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.913 HG23 ' O ' ' B' ' 122' ' ' VAL . 13.5 t -93.6 -50.27 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.54 -36.67 64.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.95 -25.88 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' B' ' 82' ' ' VAL . . . -69.06 -51.01 43.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.688 ' SG ' HG22 ' B' ' 82' ' ' VAL . 66.8 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' B' ' 94' ' ' VAL . 13.8 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.4 m -51.05 -21.81 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -87.43 -27.97 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.1 mtt -80.48 -16.24 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -76.52 -19.06 58.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.4 mp0 -119.18 -97.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -40.4 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 58.61 -144.36 43.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.78 129.54 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.683 HG11 ' OD1' ' B' ' 59' ' ' ASN . 72.1 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -55.37 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttt 68.35 145.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.67 ' O ' HG13 ' B' ' 20' ' ' VAL . 69.0 m-85 -156.22 93.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.56 100.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.67 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.1 m -128.07 -163.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.451 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -107.68 167.16 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.6 115.14 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.528 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -77.27 -41.38 41.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.94 -174.73 19.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.112 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.8 ttp -102.83 132.34 49.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.969 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.97 134.28 23.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.969 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 14.6 m -139.73 179.32 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -122.83 -50.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -76.13 135.17 70.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.27 20.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.13 -179.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.25 141.05 11.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.423 ' HE3' ' O ' ' B' ' 90' ' ' VAL . 30.6 mmm -80.21 -40.33 27.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 0.807 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -34.76 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 16.2 m -85.26 -31.59 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' B' ' 110' ' ' CYS . 11.4 tp -70.71 -61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.633 ' HA ' HD12 ' B' ' 41' ' ' ILE . 0.7 OUTLIER -50.65 -45.86 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -39.61 -46.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' B' ' 26' ' ' LEU . . . -64.13 -61.66 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 38' ' ' ASN . 11.3 mt -42.09 -42.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.442 ' O ' HG22 ' B' ' 46' ' ' THR . 21.6 mt-10 -65.87 -53.57 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.577 ' ND2' HD11 ' B' ' 26' ' ' LEU . 2.5 t-20 -51.2 -60.36 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.522 ' CD2' HD23 ' B' ' 26' ' ' LEU . 76.4 mt -53.41 -54.81 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.402 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.3 mmt -37.46 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.499 HG23 ' N ' ' B' ' 47' ' ' SER . 5.2 t -67.79 -53.69 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.499 ' N ' HG23 ' B' ' 46' ' ' THR . 3.7 m -36.04 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -76.32 -176.55 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.533 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.5 m -105.34 -177.05 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.76 -35.92 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.21 -19.67 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -38.29 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 14.1 m0 -54.63 109.03 1.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.71 42.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.2 p -79.44 132.37 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.35 171.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 91.0 m-20 -120.62 108.7 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.6 ttm -82.28 106.89 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.683 ' OD1' HG11 ' B' ' 15' ' ' VAL . 2.2 m-80 -81.72 130.23 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.462 HG11 ' O ' ' B' ' 125' ' ' ALA . 36.7 t -131.72 103.21 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.1 -160.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.7 OUTLIER -40.64 -58.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.92 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -152.68 69.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.0 m -160.82 140.89 11.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.3 t -128.61 96.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.569 HG23 ' HG3' ' B' ' 79' ' ' GLU . 91.4 m -112.79 132.08 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.548 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 98.5 t -103.11 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -96.94 152.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.636 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.6 t -60.63 136.37 58.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.411 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.68 -56.87 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -63.6 122.2 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -12.39 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -109.51 32.05 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -130.89 89.68 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.467 ' O ' HD23 ' B' ' 77' ' ' LEU . 4.6 p -65.19 152.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' B' ' 69' ' ' SER . 13.7 mt -122.46 -51.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.47 123.74 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.569 ' HG3' HG23 ' B' ' 66' ' ' THR . 5.7 tt0 -109.3 93.88 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' B' ' 85' ' ' LEU . 20.0 t -97.02 99.64 11.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.1 mpt_? -73.75 115.18 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.92 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.83 -27.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' B' ' 81' ' ' ARG . 24.3 mmt180 -70.2 -46.91 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.472 ' N ' ' O ' ' B' ' 81' ' ' ARG . 11.6 m-85 -75.63 -35.11 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -42.48 148.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 77.8 p -122.16 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.86 ' HB3' HD12 ' B' ' 100' ' ' ILE . 30.8 t80 -122.18 162.74 20.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.85 119.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.85 -161.73 12.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.611 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -121.17 172.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 0.73 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.611 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -106.4 -120.84 4.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.08 140.97 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.612 ' HB ' HD13 ' A' ' 11' ' ' LEU . 3.3 m -72.72 -34.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -42.6 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.425 ' N ' ' C ' ' B' ' 94' ' ' VAL . 21.0 p -100.32 139.23 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.557 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 68.9 t80 -134.9 112.86 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' B' ' 111' ' ' HIS . . . -108.54 170.07 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 99' ' ' PHE . 5.2 p90 -164.65 144.63 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.86 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.3 mt -95.02 133.33 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.8 ptm -133.9 142.89 47.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.468 0.175 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -115.16 124.01 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.617 ' SG ' HD12 ' B' ' 37' ' ' LEU . 46.4 t -100.32 121.87 42.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 96.9 m-70 -110.06 163.53 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.568 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.6 t -143.41 154.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 21.2 m-85 -147.31 168.98 20.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 t-105 -124.87 111.89 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -111.71 158.93 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 108.365 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 41.1 mt-10 -134.81 132.86 20.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -55.97 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.004 -2.499 . . . . 0.0 111.0 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' B' ' 120' ' ' ALA . 50.8 p-10 -106.56 177.89 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' B' ' 97' ' ' PHE . . . -98.9 39.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.541 ' HB2' ' ND2' ' B' ' 118' ' ' ASN . . . -72.37 -65.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -56.76 -19.57 17.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.946 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.0 t -87.06 -62.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.557 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 45.9 m -57.65 -31.26 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.2 -58.54 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.462 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -51.47 -22.06 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.946 HG23 ' O ' ' B' ' 122' ' ' VAL . 21.2 t -93.24 -34.36 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -63.37 -41.7 98.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.23 -20.26 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.17 -57.22 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.597 ' SG ' HG22 ' B' ' 82' ' ' VAL . 11.1 m . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.828 HD11 ' HB2' ' B' ' 120' ' ' ALA . 88.3 mt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -38.95 -30.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.9 ttpt -75.57 -68.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 19' ' ' TYR . 2.8 mmt -41.29 -36.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.32 -63.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.1 OUTLIER -94.75 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -44.65 -63.7 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -172.87 51.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 42.3 t80 -146.82 134.27 20.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.702 ' OE2' HG11 ' B' ' 32' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -56.24 20.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.435 ' CG ' ' OD1' ' B' ' 59' ' ' ASN . 47.3 mttt 68.59 147.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.596 ' O ' HG13 ' B' ' 20' ' ' VAL . 45.6 m-85 -157.99 92.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -64.01 100.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.596 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.2 m -128.41 -164.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.407 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.1 tt0 -105.35 171.4 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -129.12 102.51 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.752 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -62.26 -40.07 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.41 -170.93 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.476 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.9 ttp -109.29 126.31 53.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.965 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.16 133.46 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.965 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 145.4 31.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.56 -170.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.83 -53.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -87.65 152.45 51.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -75.03 -31.28 6.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . 0.702 HG11 ' OE2' ' A' ' 20' ' ' GLU . 32.6 m -129.2 171.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.82 132.96 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.078 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -82.25 -20.58 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -81.54 -22.77 37.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -85.02 -42.91 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.26 -60.45 3.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.436 ' HA ' HD12 ' B' ' 41' ' ' ILE . 1.3 m-80 -45.78 -47.9 15.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -48.59 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -58.76 -64.86 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' B' ' 38' ' ' ASN . 13.6 mt -40.48 -45.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.2 -48.01 80.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -59.8 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.566 ' HG ' HD23 ' B' ' 26' ' ' LEU . 41.9 mt -54.1 -51.42 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -36.72 -48.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' SER . 2.4 t -88.0 -36.74 16.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.7 t -38.57 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.1 m -113.85 -176.39 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -94.87 -175.47 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.1 ttmt -79.65 -37.21 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -28.73 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.04 -43.53 98.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -52.28 108.64 1.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.59 41.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -84.08 131.94 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.25 169.39 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 92.2 m-20 -115.12 109.77 18.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.1 ttm -82.4 101.01 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . 0.435 ' OD1' ' CG ' ' B' ' 17' ' ' LYS . 5.7 m-20 -76.5 132.84 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.55 HG11 ' O ' ' B' ' 125' ' ' ALA . 56.8 t -136.76 98.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.63 -154.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.32 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.781 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -137.11 65.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -156.96 143.63 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.66 HG21 HG13 ' B' ' 126' ' ' VAL . 76.6 t -130.72 96.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.407 ' CG2' HG23 ' B' ' 76' ' ' VAL . 40.6 m -107.78 151.62 25.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 77' ' ' LEU . 80.4 t -119.72 100.58 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -98.87 148.7 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.524 ' HA ' HD11 ' B' ' 77' ' ' LEU . 2.4 t -56.57 133.64 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.423 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -46.69 -51.72 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -60.54 120.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.16 -5.06 58.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.06 22.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -119.6 88.32 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.407 HG23 ' CG2' ' B' ' 66' ' ' THR . 7.3 p -64.05 147.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' B' ' 69' ' ' SER . 22.5 mt -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.29 137.06 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -117.14 93.99 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.614 ' SG ' HD12 ' B' ' 85' ' ' LEU . 36.9 t -96.99 87.59 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 84' ' ' PHE . 11.8 mmt180 -70.85 112.61 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.781 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.51 -40.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -51.47 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.6 m-85 -72.48 -38.3 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.614 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.9 OUTLIER -39.95 134.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.71 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 75.3 t80 -135.23 166.08 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.46 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.17 138.19 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.99 -152.13 7.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.523 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -127.76 168.65 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.523 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -97.61 -112.27 3.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' B' ' 93' ' ' ASP . 5.8 pttp -88.66 -47.77 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 0.5 OUTLIER -106.6 117.38 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' B' ' 90' ' ' VAL . 35.0 m -44.97 -31.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -47.75 -24.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.509 HG22 ' CE3' ' B' ' 114' ' ' TRP . 65.2 p -102.0 132.38 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -130.5 121.42 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.732 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -118.01 168.49 10.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 5.0 p90 -165.98 142.16 5.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' B' ' 108' ' ' PHE . 3.9 mt -95.42 135.06 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -134.02 148.9 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . 0.474 ' HB3' HG23 ' B' ' 100' ' ' ILE . 11.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.541 0.21 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -119.83 133.8 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.529 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 31.2 t -100.27 115.05 29.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 98.6 m-70 -108.43 106.5 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.752 HG12 HD13 ' B' ' 23' ' ' LEU . 41.2 t -90.23 155.07 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.5 m-85 -147.03 151.7 37.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.093 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . 0.509 ' CE3' HG22 ' B' ' 96' ' ' THR . 53.8 t-105 -108.48 112.48 24.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.53 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.3 m -102.18 163.46 12.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.341 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' B' ' 117' ' ' PRO . 27.6 mt-10 -139.9 125.06 11.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.08 -66.18 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.024 0.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -95.3 -178.3 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -108.84 46.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.828 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -77.68 -47.55 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.57 -35.77 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.92 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -64.91 -63.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 18.1 t -58.6 -23.29 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 4.1 tp10 -78.7 -54.01 6.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.55 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -56.85 -20.11 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.92 HG23 ' O ' ' B' ' 122' ' ' VAL . 16.9 t -94.07 -47.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -60.04 -26.97 66.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.48 -21.37 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.2 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.574 ' SG ' HG22 ' B' ' 82' ' ' VAL . 2.3 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.801 HD11 ' HB2' ' B' ' 120' ' ' ALA . 21.2 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 63.3 m -50.04 -23.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -65.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.9 mtt -50.39 -35.42 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.48 ' HA ' HG22 ' B' ' 90' ' ' VAL . 5.5 mt-30 -39.43 -59.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -112.49 -61.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -48.09 -24.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.06 -169.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -140.39 143.49 35.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.797 HG22 ' HB2' ' B' ' 61' ' ' ALA . 39.6 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -34.42 22.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' B' ' 18' ' ' PHE . 0.1 OUTLIER 62.21 155.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.855 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 38.6 m-85 -162.17 94.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -70.78 113.13 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.455 HG11 HG21 ' B' ' 122' ' ' VAL . 2.7 m -140.74 -165.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.445 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -106.84 165.58 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -121.99 110.28 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.582 ' O ' HD22 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -71.71 -30.33 65.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.63 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 121.92 -176.68 16.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -101.33 129.68 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.942 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.23 134.3 24.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.942 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 146.93 33.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.81 -159.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.75 -66.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -78.72 150.41 75.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 m -149.06 139.29 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.63 136.09 1.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.83 -50.21 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -13.15 50.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.1 m -84.33 -36.48 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 40' ' ' ALA . 4.8 tp -75.97 -64.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.5 m-80 -40.62 -53.37 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -38.64 -38.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -72.81 -66.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.513 ' O ' ' CG ' ' B' ' 45' ' ' MET . 18.3 mt -41.32 -40.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -69.59 -44.43 70.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -60.95 -61.87 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.63 HD11 ' O ' ' B' ' 24' ' ' GLY . 16.6 mt -52.79 -50.37 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.32 -58.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.404 ' O ' ' C ' ' B' ' 47' ' ' SER . 4.4 t -79.19 -34.82 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.5 t -38.96 -68.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 m -116.31 -179.25 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.3 m -90.66 -177.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.68 -37.3 31.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -18.01 61.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -39.45 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.59 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -54.72 110.34 2.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.8 40.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -86.32 122.58 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.43 173.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -119.99 113.86 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.4 ttm -88.49 99.14 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -75.1 123.93 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.633 HG11 ' HB1' ' B' ' 125' ' ' ALA . 25.6 t -126.62 105.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.797 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -107.35 -156.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.68 -66.21 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.944 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.3 69.01 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -160.58 138.69 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.406 HG21 HG13 ' B' ' 126' ' ' VAL . 55.8 t -126.03 98.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.441 HG23 ' HG3' ' B' ' 79' ' ' GLU . 92.2 m -114.16 136.02 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.462 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 69.9 t -100.63 104.51 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.795 HG23 ' O ' ' B' ' 75' ' ' GLU . 25.2 mt -98.92 147.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.488 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -64.57 127.34 31.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -58.47 7.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.16 79.03 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 0.7 OUTLIER 164.19 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 0.6 OUTLIER 88.96 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 40.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.795 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.7 OUTLIER -145.69 116.64 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.4 t -86.51 143.39 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' B' ' 69' ' ' SER . 32.2 mt -114.73 -53.63 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.7 t -137.73 144.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' B' ' 66' ' ' THR . 2.1 tt0 -126.99 94.64 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' B' ' 85' ' ' LEU . 29.0 t -97.81 89.7 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.7 mpt_? -66.12 114.88 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.944 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.4 -27.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' B' ' 81' ' ' ARG . 5.9 mmt85 -72.35 -44.18 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.265 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.461 ' N ' ' O ' ' B' ' 81' ' ' ARG . 14.6 m-30 -78.02 -34.98 50.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.725 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -39.77 143.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . 0.421 ' OG ' HG22 ' B' ' 100' ' ' ILE . 2.8 p -115.23 -62.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' B' ' 88' ' ' MET . 9.5 t80 -132.85 150.64 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.559 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -157.39 130.99 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.26 -153.44 7.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.609 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.4 m -126.11 172.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.609 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -94.28 -100.99 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.97 -31.24 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.04 143.1 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.9 m -80.94 2.71 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 10.7 m80 -86.51 -21.66 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 13.5 p -97.1 158.51 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.638 ' CE2' HG21 ' B' ' 126' ' ' VAL . 35.8 t80 -157.88 112.88 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.795 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.35 162.28 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.594 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.2 p90 -153.15 143.57 22.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . 0.469 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -95.88 130.26 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.7 ptm -128.29 148.17 50.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.2 t0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.503 0.192 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.41 150.33 48.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 45.4 t -118.99 126.37 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.4 m-70 -120.57 109.59 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.795 HG22 ' HB2' ' B' ' 98' ' ' ALA . 39.6 t -90.63 164.49 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.587 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 65.3 m-85 -156.31 156.72 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -111.99 114.73 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.7 m -111.83 149.77 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 36.3 mt-10 -132.67 135.37 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.02 -55.81 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.993 0.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.498 ' CB ' HG23 ' B' ' 94' ' ' VAL . 5.0 p30 -107.22 175.08 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.446 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -98.47 42.08 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.801 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -82.86 -25.42 32.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -43.27 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.899 ' O ' HG23 ' B' ' 126' ' ' VAL . 1.7 t -64.65 -62.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.471 ' N ' HG12 ' B' ' 122' ' ' VAL . 2.2 p -53.45 -37.26 62.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.544 ' OE2' ' HB2' ' B' ' 128' ' ' ALA . 12.1 tp10 -63.01 -56.59 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.855 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -54.15 -20.38 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.899 HG23 ' O ' ' B' ' 122' ' ' VAL . 18.2 t -93.63 -32.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 123' ' ' SER . 3.4 tt0 -70.27 -43.78 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . 0.544 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -76.3 -20.25 57.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 125' ' ' ALA . . . -69.32 -42.03 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.734 ' SG ' HG22 ' B' ' 82' ' ' VAL . 58.1 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 108.336 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.622 HD11 ' HB2' ' B' ' 120' ' ' ALA . 73.3 mt . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.19 -25.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASN . 6.3 tttp -74.6 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.467 ' HE3' ' HB2' ' A' ' 19' ' ' TYR . 36.3 mtt -63.77 -9.74 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.459 ' CD ' HG12 ' B' ' 94' ' ' VAL . 2.6 mt-30 -69.2 -27.42 65.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' LYS . 1.1 m-20 -70.62 -25.96 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 56.81 -157.48 11.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 88.7 t80 -153.4 136.58 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.646 HG23 ' HG3' ' B' ' 17' ' ' LYS . 10.1 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -56.95 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LYS . . . . . 0.646 ' HG3' HG23 ' B' ' 15' ' ' VAL . 68.3 mttt 62.85 151.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 87.6 m-85 -157.14 112.67 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 120.7 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.53 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.4 m -149.57 -162.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLN . . . . . 0.53 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.9 mt-30 -113.15 170.43 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.76 101.29 6.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.679 HD13 HG12 ' B' ' 112' ' ' VAL . 0.6 OUTLIER -62.78 -38.01 88.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.39 -170.59 20.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -105.52 131.69 52.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.762 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.1 OUTLIER -117.52 130.94 24.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . 0.762 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.426 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 32.1 m -117.36 -168.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.05 -52.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -93.49 150.52 39.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -74.97 -31.81 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.32 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.42 111.04 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.8 tpt -64.9 -9.69 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.14 -33.8 15.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 1.2 m -78.24 -35.7 47.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.418 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.53 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -42.12 -51.44 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -39.9 -46.59 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -64.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.465 HD13 ' N ' ' B' ' 91' ' ' GLY . 14.4 mt -43.73 -42.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.57 -47.05 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.516 ' O ' HG22 ' B' ' 46' ' ' THR . 1.5 t-20 -58.11 -68.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.76 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.9 mt -45.56 -51.57 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.2 mmt -38.11 -48.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . 0.516 HG22 ' O ' ' B' ' 43' ' ' ASN . 2.8 t -88.29 -35.3 17.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.4 t -39.26 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.5 m -112.1 -175.94 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' SER . . . . . 0.483 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.0 m -90.06 -175.96 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -84.57 -34.61 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -21.62 51.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.82 -36.37 78.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . 0.594 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -57.1 111.29 3.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.99 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -80.4 130.45 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.13 173.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -126.94 107.5 10.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttm -82.49 108.41 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -92.84 122.52 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' VAL . . . . . 0.536 HG11 ' O ' ' B' ' 125' ' ' ALA . 22.9 t -122.17 109.14 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.639 ' CB ' HG12 ' B' ' 15' ' ' VAL . . . -162.46 166.75 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.87 28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.917 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . 62.6 49.31 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.503 ' N ' ' O ' ' B' ' 61' ' ' ALA . 96.9 m -145.08 129.77 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . 0.49 HG21 HG13 ' B' ' 126' ' ' VAL . 54.4 t -106.83 105.21 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.408 ' CG2' HG23 ' B' ' 76' ' ' VAL . 87.6 m -116.92 132.29 56.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 89.3 t -100.95 101.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.404 HG21 ' O ' ' B' ' 73' ' ' GLU . 16.8 mt -94.42 156.0 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.646 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -66.96 118.49 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 69' ' ' SER . 1.1 tt0 -38.72 -47.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -62.09 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -71.71 125.12 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.404 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.8 OUTLIER -81.8 -7.44 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.17 29.3 7.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -129.57 80.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.508 ' O ' HD23 ' B' ' 77' ' ' LEU . 9.3 p -57.52 153.57 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.646 HD11 ' HA ' ' B' ' 69' ' ' SER . 19.5 mt -125.14 -53.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.92 136.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -118.14 93.95 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.705 ' SG ' HD12 ' B' ' 85' ' ' LEU . 12.2 t -96.79 92.57 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' B' ' 83' ' ' ARG . 9.8 mmt85 -71.52 116.14 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.917 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.4 OUTLIER -47.15 -24.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 81' ' ' ARG . 15.4 mmt180 -72.71 -43.02 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 12.7 m-85 -80.44 -33.79 36.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' LEU . . . . . 0.705 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.94 153.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 96.8 p -126.98 -59.02 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 31.0 t80 -131.43 161.71 31.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' MET . . . . . 0.768 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -169.64 137.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.62 -150.31 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.544 HG23 ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -132.64 167.59 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . 0.544 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -94.55 -105.01 1.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.17 -40.69 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.72 144.09 27.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.514 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.2 m -78.84 -24.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 115' ' ' CYS . 1.4 m80 -62.98 -14.9 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.625 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.9 p -99.46 152.7 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' PHE . . . . . 0.678 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 31.6 t80 -156.5 113.51 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.724 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.69 164.92 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.5 p90 -157.43 143.57 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 6.4 mt -94.65 126.76 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -121.92 142.43 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' PHE . . . . . 0.489 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 24.1 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.473 0.178 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -124.82 137.92 54.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 42.9 t -113.91 125.0 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 108.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.0 m-70 -113.4 111.28 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' B' ' 98' ' ' ALA . 28.0 t -91.16 162.47 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 41.7 m-85 -152.66 166.65 31.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -125.2 94.9 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' CYS . . . . . 0.616 ' SG ' HG21 ' B' ' 122' ' ' VAL . 12.8 m -89.06 162.29 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.5 mt-10 -139.57 134.08 16.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -57.03 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.997 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ASN . . . . . 0.514 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.1 p30 -104.86 178.03 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ALA . . . . . 0.477 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -103.69 40.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . 0.622 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -77.04 -48.49 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -69.96 -46.97 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' VAL . . . . . 0.841 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -56.18 -69.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.569 ' N ' HG12 ' B' ' 122' ' ' VAL . 34.9 p -49.13 -35.35 16.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 21.9 tt0 -66.02 -57.63 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.83 -22.56 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 122' ' ' VAL . 5.7 t -93.77 -28.1 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' GLN . . . . . 0.41 ' HA ' ' HE3' ' B' ' 88' ' ' MET . 11.8 tt0 -72.91 -35.62 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.78 -21.73 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.67 -46.4 38.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' CYS . . . . . 0.563 ' HA ' HG22 ' B' ' 82' ' ' VAL . 11.3 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.87 164.06 26.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.22 129.64 40.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.3 m -78.51 178.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.744 HG23 ' HD2' ' A' ' 6' ' ' PRO . 2.5 m -54.71 146.55 35.28 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.744 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.95 -50.08 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.487 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 1.7 tp10 -58.49 -56.46 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.551 ' H ' HG22 ' A' ' 5' ' ' THR . 4.1 tp10 -38.94 -43.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.313 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -51.45 66.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -50.49 -38.12 42.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.644 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' B' ' 120' ' ' ALA . 79.6 mt -77.42 -67.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.85 -35.27 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.8 -56.42 21.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.413 ' C ' ' N ' ' A' ' 16' ' ' GLN . 18.7 mtt -60.68 -46.12 91.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.532 ' CD ' HG12 ' B' ' 94' ' ' VAL . 6.1 mt-30 -42.17 -27.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 14' ' ' MET . 1.8 mp0 -123.43 -86.29 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.488 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 4.7 m-80 -40.92 -34.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 67.63 -141.46 38.61 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.408 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 61.8 t80 -164.57 131.87 3.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 0.774 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -120.44 113.87 20.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 2.8 t-20 -66.41 120.12 67.83 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.19 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.479 1.778 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -41.29 -39.5 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 86' ' ' SER . 4.6 t80 -43.35 -54.73 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt 65.32 75.71 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' PHE . 72.6 t80 -76.56 106.97 8.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' PHE . 80.1 m-85 -37.58 135.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 63.16 158.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.52 100.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.99 102.64 14.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -42.12 140.7 1.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 p30 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -179.09 156.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.045 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.81 161.8 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.26 159.65 31.57 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.79 170.89 7.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 110.016 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.21 167.51 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.28 156.47 28.39 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -179.46 5.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 68.5 p -118.97 160.25 41.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.11 29.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.72 -173.49 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.6 p -94.56 126.65 39.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -156.93 156.88 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.55 117.06 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 45.0 t -103.52 146.32 11.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -51.73 60.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 59.7 mttt 66.9 145.58 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 62.1 m-85 -153.39 103.09 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.09 119.43 14.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.539 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.4 m -148.41 -162.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.539 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -113.38 165.16 12.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -119.48 103.06 9.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.954 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.718 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -63.0 -35.19 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.92 -169.84 20.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.4 ttp -108.19 128.4 54.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.941 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -118.29 133.62 23.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.941 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -74.96 147.57 34.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -134.24 -179.05 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 -57.53 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 159.06 32.62 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -13.39 21.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 m -138.91 -177.92 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.51 133.11 5.09 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -45.74 56.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.3 -19.51 65.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -80.78 -26.41 37.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.406 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' B' ' 38' ' ' ASN . 12.7 tp -86.05 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' B' ' 37' ' ' LEU . 91.3 m-20 -40.47 -51.25 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 40.8 t -41.06 -47.56 3.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.59 -66.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.532 HD13 ' N ' ' B' ' 91' ' ' GLY . 22.3 mt -41.66 -46.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -63.05 -49.64 73.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -64.95 0.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.708 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.7 mt -48.69 -52.35 23.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.409 ' HE1' ' CH2' ' B' ' 53' ' ' TRP . 2.9 mmt -38.94 -65.21 0.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.46 HG23 ' N ' ' B' ' 47' ' ' SER . 5.0 t -68.03 -51.51 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.46 ' N ' HG23 ' B' ' 46' ' ' THR . 0.4 OUTLIER -37.48 -85.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -80.61 174.16 11.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.403 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 32.0 m -95.03 175.2 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.39 -40.69 57.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.14 -24.09 57.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -63.8 -39.36 94.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.4 m0 -55.89 111.51 3.24 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 166.05 30.04 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.01 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -89.34 132.83 34.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -133.84 -178.38 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 71.3 m-20 -130.72 108.56 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.8 ttm -82.44 104.61 12.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.78 127.87 33.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.544 HG11 ' O ' ' B' ' 125' ' ' ALA . 24.4 t -131.34 105.92 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -103.89 -157.92 0.64 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -41.34 -57.84 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.983 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -155.07 66.61 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.459 HG23 ' HD2' ' B' ' 81' ' ' ARG . 91.2 m -158.23 133.95 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 80' ' ' CYS . 79.2 t -120.97 101.68 11.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.9 m -115.75 144.88 43.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.555 HG12 HD12 ' B' ' 77' ' ' LEU . 75.9 t -111.45 100.78 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.577 HG21 ' O ' ' B' ' 73' ' ' GLU . 16.4 mt -100.21 145.47 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.652 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.2 t -52.54 147.47 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.417 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.66 -53.66 38.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -75.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' B' ' 69' ' ' SER . 18.5 m-20 -68.23 155.6 39.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.577 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.4 tp10 -112.02 -26.76 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -99.68 32.31 2.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -126.75 85.52 2.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.455 ' O ' HD23 ' B' ' 77' ' ' LEU . 6.3 p -63.57 153.16 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.9 mt -122.79 -50.82 1.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.91 125.95 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -105.94 93.73 4.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.828 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.4 t -102.17 98.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 6.5 mmm180 -78.27 124.33 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.983 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.82 -27.03 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' B' ' 81' ' ' ARG . 17.6 mmt180 -74.19 -43.53 56.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.461 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 10.2 m-85 -74.29 -41.23 61.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.828 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -40.74 142.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 5.9 p -116.23 -58.84 2.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.669 ' HB3' HD12 ' B' ' 100' ' ' ILE . 29.2 t80 -128.83 156.84 43.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.707 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -166.62 137.8 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.9 -152.01 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.501 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -131.7 168.72 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.532 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -92.17 -125.12 3.51 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -89.31 -15.42 33.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.411 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -122.73 131.67 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.181 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.532 HG12 ' CD ' ' A' ' 15' ' ' GLN . 10.4 m -67.57 -14.49 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.411 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 4.2 m80 -70.83 -12.32 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.605 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 8.0 p -105.01 158.76 16.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.603 ' CE2' HG21 ' B' ' 126' ' ' VAL . 61.8 t80 -158.11 114.65 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.835 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -119.11 160.89 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.586 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.0 p90 -155.53 143.35 19.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.669 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.8 mt -94.71 141.58 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -140.32 143.0 35.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.95 105.2 17.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.748 HG21 ' OE1' ' B' ' 109' ' ' GLU . 32.6 p -63.19 -54.54 35.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -153.85 -92.24 0.09 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -57.44 -166.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 2.6 mt-30 -61.64 -13.16 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.63 138.63 46.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 14.5 m-85 -132.51 134.52 45.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . 0.748 ' OE1' HG21 ' B' ' 103' ' ' THR . 0.7 OUTLIER -118.46 146.78 44.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.536 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 11.6 t -119.04 137.44 53.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 108.343 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.6 m-70 -122.76 114.48 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.627 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.835 HG22 ' HB2' ' B' ' 98' ' ' ALA . 46.0 t -93.98 164.91 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.601 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 55.6 m-85 -155.54 163.15 40.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.7 t-105 -120.19 105.75 11.27 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.501 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.2 m -95.92 161.87 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.47 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.8 OUTLIER -141.13 129.96 12.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -62.93 0.03 OUTLIER 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.025 0.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.405 ' CB ' HG23 ' B' ' 94' ' ' VAL . 37.4 p30 -96.45 176.57 5.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' B' ' 94' ' ' VAL . . . -105.02 44.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.764 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -80.13 -48.58 12.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -66.29 -49.38 67.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.853 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -54.13 -70.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.595 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 25.5 m -48.68 -33.84 10.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 22.9 tt0 -67.6 -51.36 51.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -60.49 -18.01 48.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.853 HG23 ' O ' ' B' ' 122' ' ' VAL . 11.3 t -93.45 -51.56 11.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.408 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -55.81 -43.53 77.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.68 80.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' B' ' 130' ' ' CYS . . . -58.16 -56.96 15.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 98.9 m -41.09 -49.86 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 108.297 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.66 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.53 168.29 9.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 65.43 6.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.78 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.92 106.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 8.4 t -92.68 -55.61 3.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.86 98.61 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 62.59 98.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.63 166.05 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.217 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.416 HG23 ' H ' ' A' ' 5' ' ' THR . 81.6 p -41.88 150.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.403 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.52 18.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE2' ' HB1' ' B' ' 120' ' ' ALA . 6.0 tp10 -98.19 -32.1 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -73.3 -51.93 15.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -32.57 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -67.5 -41.83 83.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.63 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.616 HD11 ' HB2' ' B' ' 120' ' ' ALA . 11.1 mt -78.57 -57.78 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 t -39.56 -30.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.098 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 11.5 tttt -65.7 -60.76 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.533 ' O ' ' HE1' ' B' ' 34' ' ' MET . 10.7 mtt -67.25 -26.06 66.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HA ' HG22 ' B' ' 90' ' ' VAL . 4.4 mt-30 -45.69 -42.31 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -129.6 -42.25 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 1.5 t-20 -72.17 -10.98 60.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 40.09 -161.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.436 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 59.9 t80 -147.38 130.98 16.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 0.766 . . . . 0.0 110.997 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -111.35 132.92 54.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.549 ' CG ' HG22 ' A' ' 23' ' ' THR . 5.4 t-20 -88.9 123.73 66.91 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -35.2 3.26 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.491 1.785 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.549 HG22 ' CG ' ' A' ' 21' ' ' ASN . 5.0 t -47.53 -45.83 27.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.416 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.486 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 7.0 t80 -45.86 138.64 4.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 75.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -83.09 46.81 1.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 45.25 92.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -47.86 -67.09 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 53.36 74.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.316 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 31.0 ttp -112.22 134.92 53.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ASN . 2.6 pm0 -160.68 138.12 9.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' GLN . 5.5 t30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.5 p -175.6 154.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 16.4 t -61.97 97.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.99 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.36 -116.77 3.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.0 p -170.5 116.59 0.5 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 0.759 . . . . 0.0 109.958 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.96 105.59 17.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.15 178.25 17.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.424 1.75 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.496 HG22 ' HD2' ' B' ' 10' ' ' PRO . 18.7 m -88.77 143.93 32.46 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.496 ' HD2' HG22 ' B' ' 9' ' ' THR . 18.3 Cg_endo -75.01 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.68 131.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -77.37 148.35 35.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.446 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -130.29 153.65 48.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.9 mm? -121.58 130.82 53.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.642 HG12 ' H ' ' B' ' 16' ' ' GLN . 5.5 t -113.98 174.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.642 ' H ' HG12 ' B' ' 15' ' ' VAL . 0.2 OUTLIER -96.38 -39.21 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 65.32 152.32 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 54.8 m-85 -158.69 94.52 1.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -69.5 102.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.435 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.9 m -129.07 -168.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -103.01 167.29 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.05 108.37 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.614 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -69.97 -38.76 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.73 -173.24 20.24 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.525 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.2 ttp -104.94 126.16 51.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 0.762 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.998 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.25 134.75 22.77 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.998 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.0 Cg_endo -75.09 139.82 24.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.478 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.1 m -127.64 -178.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -122.69 -49.11 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -95.29 147.7 33.46 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -31.12 6.47 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.463 1.77 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 m -125.55 160.73 31.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.21 133.62 5.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.533 ' HE1' ' O ' ' A' ' 14' ' ' MET . 96.7 mmm -76.8 -38.31 54.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.37 -34.31 4.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.478 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 37.7 m -87.44 -47.14 9.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.08 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -63.19 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.441 ' HA ' HD12 ' B' ' 41' ' ' ILE . 0.9 OUTLIER -45.04 -46.91 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 2.5 t -41.79 -46.67 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -54.94 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.475 ' O ' ' CG ' ' B' ' 45' ' ' MET . 46.2 mt -50.28 -49.5 23.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -65.49 -36.0 82.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.38 -68.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.727 ' HG ' HD23 ' B' ' 26' ' ' LEU . 35.8 mt -49.82 -46.42 51.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.1 mmt -37.03 -48.56 0.79 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 t -95.66 -37.05 10.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 110.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.55 -46.11 6.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 p -123.61 176.71 6.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -96.01 172.39 8.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.577 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -75.19 -39.51 60.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -74.47 -20.96 59.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -69.83 -44.98 68.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -49.22 109.68 1.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 159.94 40.9 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.479 1.778 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -84.83 131.56 34.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.018 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 m -135.97 167.33 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 86.3 m-20 -115.08 111.46 21.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.2 ttm -86.35 104.99 16.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -79.8 127.84 32.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.558 HG11 ' O ' ' B' ' 125' ' ' ALA . 23.6 t -131.45 106.33 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.95 -153.39 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -39.99 -68.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.896 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -147.53 67.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 81.6 m -158.58 138.42 12.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.424 HG21 HG13 ' B' ' 126' ' ' VAL . 73.5 t -125.6 100.12 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -111.94 142.83 43.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 71.3 t -111.25 102.89 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.616 HG23 ' O ' ' B' ' 75' ' ' GLU . 18.6 mt -101.48 148.16 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.603 ' HA ' HD11 ' B' ' 77' ' ' LEU . 3.6 t -57.74 133.65 55.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.424 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.3 OUTLIER -49.83 -55.53 13.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -77.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 83.5 m-20 -69.87 115.97 9.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.73 -7.81 59.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -109.35 14.36 23.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.616 ' O ' HG23 ' B' ' 68' ' ' ILE . 3.9 tt0 -110.28 104.1 12.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 7.6 p -76.5 144.22 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' B' ' 69' ' ' SER . 19.4 mt -118.56 -57.03 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.54 137.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -119.1 94.66 4.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 7.3 t -100.14 92.29 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.288 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 8.9 mmm-85 -73.42 116.87 14.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.896 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.12 -36.62 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -50.14 72.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.486 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 5.8 m-85 -70.54 -36.16 73.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.557 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.2 OUTLIER -39.63 152.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 13.8 p -125.57 -46.51 1.74 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 26.5 t80 -146.46 156.3 43.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.639 ' HE2' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -167.29 130.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.78 -152.42 6.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.501 ' O ' ' CE ' ' B' ' 34' ' ' MET . 0.9 OUTLIER -133.75 160.34 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.414 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -83.07 -117.6 0.59 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -90.99 -30.87 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 0.742 . . . . 0.0 109.31 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.82 139.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.426 ' C ' ' N ' ' B' ' 96' ' ' THR . 9.1 m -70.42 -36.55 67.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -42.75 -28.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.426 ' N ' ' C ' ' B' ' 94' ' ' VAL . 61.0 p -96.51 155.3 16.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.367 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.674 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 34.7 t80 -157.95 116.68 3.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.844 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -117.8 164.56 14.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.607 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.4 p90 -155.95 143.01 19.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mt -95.06 134.35 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 25.8 ptm -128.95 145.2 51.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -97.82 107.52 20.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.495 HG21 ' OE1' ' B' ' 109' ' ' GLU . 12.3 p -97.37 19.15 13.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.93 152.0 8.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.117 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 t30 52.46 -171.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 37.1 mt-30 -71.21 -4.39 25.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -65.95 139.07 58.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 10.3 m-85 -140.6 132.4 27.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . 0.495 ' OE1' HG21 ' B' ' 103' ' ' THR . 0.6 OUTLIER -111.77 140.35 46.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.591 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 41.0 t -111.92 135.13 52.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 108.279 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.2 m-70 -123.23 113.58 19.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.62 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.844 HG22 ' HB2' ' B' ' 98' ' ' ALA . 36.4 t -91.98 161.96 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.9 m-85 -152.09 159.8 43.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 12.1 t-105 -116.46 105.35 12.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 107.996 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.553 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.3 m -104.05 151.4 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 108.315 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -132.4 136.99 28.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.96 -54.27 0.15 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.997 -0.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 18.8 p30 -110.3 168.84 9.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -92.82 31.76 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.616 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -68.1 -41.56 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -76.19 -42.4 46.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.984 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.3 t -63.68 -61.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.0 p -52.62 -37.48 58.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 109.946 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -69.0 -55.59 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -52.77 -22.2 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.984 HG23 ' O ' ' B' ' 122' ' ' VAL . 16.3 t -93.48 -36.38 7.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.57 -48.06 70.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.72 -24.98 66.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -68.64 -53.78 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.728 ' SG ' HG22 ' B' ' 82' ' ' VAL . 19.9 m -50.97 -55.37 17.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.25 -75.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.4 168.86 37.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.79 41.92 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.462 1.769 . . . . 0.0 111.001 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.68 142.14 37.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 97.5 p -74.92 140.81 44.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.37 -57.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 57.54 76.51 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 5' ' ' THR . 0.4 OUTLIER -69.16 178.29 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 9.8 m -74.03 135.95 76.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.426 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.97 -32.08 5.72 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -69.57 -26.97 64.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.83 -57.13 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -46.62 -40.52 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -54.52 -46.47 73.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.546 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' B' ' 94' ' ' VAL . 20.9 mt -72.19 -44.98 62.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 m -45.8 -55.16 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -41.79 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.459 ' O ' ' HE2' ' B' ' 34' ' ' MET . 5.0 mtt -81.74 -44.94 16.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' HA ' HG22 ' B' ' 90' ' ' VAL . 2.0 mt-30 -40.31 -53.59 2.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 1.5 pp0? -111.57 163.07 14.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.82 -61.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . 94.42 164.54 35.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -105.54 134.39 48.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 0.749 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.63 133.83 55.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 1.3 t-20 -89.86 118.86 69.29 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -35.3 3.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.2 t -47.59 -42.22 23.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -49.23 135.21 17.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -156.2 86.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.21 1.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 44.29 94.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.6 44.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 61.99 96.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.7 tpp -101.68 111.66 23.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 60.06 156.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.363 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.93 140.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.954 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -168.35 166.84 12.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.31 -144.64 3.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.51 177.1 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.64 -157.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.62 94.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.472 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -67.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.2 p -136.08 158.84 72.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 146.07 32.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -173.48 158.25 3.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.0 m -117.52 146.46 43.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -157.81 169.1 25.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.32 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.79 158.87 16.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.403 HG22 ' HB2' ' B' ' 61' ' ' ALA . 40.7 t -142.19 153.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -56.96 5.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.1 mttt 63.71 149.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.833 ' O ' HG13 ' B' ' 20' ' ' VAL . 68.0 m-85 -157.23 92.75 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.475 ' CD ' ' OE2' ' B' ' 70' ' ' GLU . 1.1 tmm_? -60.93 97.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.833 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.0 m -123.26 -162.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.571 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 mt-30 -112.74 171.15 7.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -124.3 113.42 18.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.559 ' HA ' ' CD1' ' B' ' 53' ' ' TRP . 0.2 OUTLIER -74.13 -34.77 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.52 -177.75 17.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -102.04 127.13 49.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.16 134.01 22.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.06 151.4 39.2 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 23.9 m -139.76 -175.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -123.8 -50.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.6 mmt85 -95.35 150.36 37.47 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -27.91 9.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 m -136.67 139.11 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' B' ' 36' ' ' THR . . . 155.93 102.32 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' A' ' 14' ' ' MET . 3.6 tpt -45.95 -34.52 4.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.76 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -66.17 -39.29 89.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 9.0 m -74.27 -28.32 61.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 110.419 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -71.49 -66.55 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -45.73 -45.61 14.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 31.5 t -40.25 -48.18 2.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.59 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 12.4 mt -42.02 -53.8 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.407 ' O ' HG22 ' B' ' 46' ' ' THR . 24.5 mt-10 -58.84 -38.13 78.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.7 OUTLIER -66.4 -71.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.732 ' HG ' HD23 ' B' ' 26' ' ' LEU . 29.1 mt -43.85 -39.77 4.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.435 ' HE1' ' CH2' ' B' ' 53' ' ' TRP . 3.7 mmt -50.87 -43.32 59.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.407 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.8 t -99.95 -8.09 24.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.437 ' N ' ' O ' ' B' ' 43' ' ' ASN . 0.0 OUTLIER -93.26 11.33 28.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m 179.59 152.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 36.8 m -83.66 173.6 11.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 110.009 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.83 -33.23 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -85.47 -1.74 57.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.262 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -5.59 48.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.595 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -91.42 112.92 56.66 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 108.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 154.2 41.92 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.475 1.776 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -81.15 141.78 33.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -143.07 177.06 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -124.24 108.94 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 26.3 ttm -84.02 99.04 10.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' B' ' 66' ' ' THR . 12.4 m-20 -77.8 126.6 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.464 HG11 ' O ' ' B' ' 125' ' ' ALA . 34.7 t -131.37 103.15 6.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -108.31 -148.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -36.49 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.874 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -135.22 66.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 54.9 m -157.17 146.38 20.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.475 HG21 HG13 ' B' ' 126' ' ' VAL . 42.0 t -132.88 98.43 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.432 ' O ' ' N ' ' B' ' 59' ' ' ASN . 98.4 m -109.06 142.3 39.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.01 92.66 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.409 HG23 ' C ' ' B' ' 75' ' ' GLU . 9.6 mt -90.15 148.61 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.762 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.2 OUTLIER -57.05 148.45 21.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.475 ' OE2' ' CD ' ' B' ' 19' ' ' ARG . 0.2 OUTLIER -67.75 -56.26 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.16 56.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' B' ' 69' ' ' SER . 6.5 m-20 163.94 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -122.5 -4.09 8.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.246 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.42 2.08 11.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.409 ' C ' HG23 ' B' ' 68' ' ' ILE . 24.2 tt0 -98.05 92.23 5.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 p -76.28 141.42 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' B' ' 69' ' ' SER . 22.2 mt -111.97 -52.6 2.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.8 t -139.37 144.09 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -124.21 94.38 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' B' ' 85' ' ' LEU . 8.6 t -96.2 97.45 9.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.283 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' B' ' 84' ' ' PHE . 13.1 mmt180 -78.46 118.8 20.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.874 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -48.09 -26.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -73.8 -36.88 65.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.25 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' B' ' 81' ' ' ARG . 7.9 m-85 -84.87 -34.1 22.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -43.45 150.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 83.0 p -130.58 -52.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.416 ' HB3' HD12 ' B' ' 100' ' ' ILE . 9.2 t80 -130.08 144.75 51.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.616 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -161.26 127.68 3.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.99 -150.23 6.22 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 15' ' ' GLN . 1.7 m -130.15 161.34 40.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -87.41 -120.51 1.42 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -88.58 -19.68 26.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.785 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.4 138.73 53.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.717 ' HB ' HD13 ' A' ' 11' ' ' LEU . 20.3 m -75.98 -2.34 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 1.0 OUTLIER -85.54 -11.15 54.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.6 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 72.8 p -114.2 124.55 52.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' B' ' 126' ' ' VAL . 18.7 t80 -121.02 114.79 22.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.659 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -114.45 150.74 34.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.592 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 8.0 p90 -146.48 142.11 27.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.2 mt -95.92 123.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.5 ptm -118.21 138.74 52.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.051 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.28 114.32 17.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 16.1 p -109.33 42.59 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.08 . . . . 0.0 110.425 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.54 -157.41 27.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.97 -69.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 0.779 . . . . 0.0 109.344 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.566 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 5.3 mt-30 -124.77 1.55 8.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.435 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.5 OUTLIER -56.24 145.31 27.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.566 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.8 m-85 -137.28 148.05 46.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -140.87 130.21 23.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.417 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 48.2 t -96.67 121.33 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 108.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.4 m-70 -115.33 106.94 14.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 109.61 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' B' ' 98' ' ' ALA . 25.1 t -90.45 165.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.4 m-85 -156.58 161.44 39.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 48.0 t-105 -113.01 109.64 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -102.05 147.88 26.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 108.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 37.4 mt-10 -131.33 129.99 22.46 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.621 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -75.06 -58.02 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.031 0.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -104.82 -177.23 3.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -106.22 55.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.57 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -87.41 -47.3 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -70.84 -50.7 32.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.669 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.9 t -54.05 -71.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.483 ' N ' HG12 ' B' ' 122' ' ' VAL . 60.7 p -38.75 -50.32 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' B' ' 127' ' ' GLN . 17.8 tt0 -60.73 -58.17 9.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.464 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -43.06 -28.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 122' ' ' VAL . 4.4 t -93.25 -40.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' B' ' 124' ' ' GLU . 39.5 tt0 -61.75 -31.69 71.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.34 -20.11 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -71.74 -45.5 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.577 ' SG ' HG22 ' B' ' 82' ' ' VAL . 6.1 m -58.21 -44.97 88.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.332 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.9 -55.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.056 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 90.05 168.19 42.69 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 95.2 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.3 m -64.92 85.1 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 22.6 m -112.06 109.12 18.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.37 101.41 14.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.23 69.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 p -44.43 123.5 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.16 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 5' ' ' THR . 39.4 p -56.7 160.04 6.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 110.375 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -42.03 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.451 1.764 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.451 ' OE2' ' HB1' ' B' ' 120' ' ' ALA . 8.8 tp10 -62.12 -64.45 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -42.3 -40.48 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -56.65 19.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -47.34 -29.18 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' B' ' 120' ' ' ALA . 17.2 mt -85.6 -52.17 5.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.453 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 11.1 t -38.44 -44.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -63.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -42.72 -38.17 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG2' HG22 ' B' ' 90' ' ' VAL . 22.9 mt-30 -61.29 -56.49 19.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 12' ' ' SER . 2.1 mp0 -77.72 -95.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -40.51 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.14 -179.4 23.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 53.5 t80 -123.07 129.49 51.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.63 118.43 29.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' B' ' 85' ' ' LEU . 3.5 m120 -58.82 110.98 3.05 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.8 9.77 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.5 t -62.72 -41.9 99.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 9.4 t80 -49.13 160.55 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -169.24 134.68 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' CD2' ' CZ ' ' A' ' 24' ' ' TYR . 2.1 m-85 -166.96 160.57 14.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 52.37 -174.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.51 149.59 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -105.18 -59.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.336 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 1.1 mtp 52.23 90.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 41.25 89.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 54.9 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.82 169.63 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.12 158.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.973 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.64 120.65 2.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.7 p -172.5 148.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 0.736 . . . . 0.0 110.006 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.9 163.43 23.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.86 105.08 0.68 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 177.48 8.51 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 111.062 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 60.5 p -131.43 146.22 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.1 Cg_endo -75.01 170.45 20.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -178.57 149.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.0 p -109.83 97.72 7.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.378 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -121.06 149.39 42.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.348 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.13 119.33 26.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.6 t -126.98 151.64 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.15 -53.05 34.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mttt 66.27 147.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.584 ' O ' HG13 ' B' ' 20' ' ' VAL . 42.3 m-85 -156.98 93.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -63.62 99.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.584 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.9 m -126.63 -162.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.415 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -107.51 167.1 10.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.48 101.57 7.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.732 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -61.48 -40.78 95.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.408 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 129.81 -177.76 17.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.462 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -100.18 131.3 46.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.05 134.28 24.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 127.98 11.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 m -114.1 179.54 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.65 -56.64 2.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 157.19 34.47 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.504 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.3 Cg_endo -75.03 -12.24 21.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -140.81 177.08 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.173 . . . . 0.0 109.28 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 120.63 3.32 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -64.48 -32.43 74.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 111.036 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -21.37 60.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 87.2 m -82.31 -31.16 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 tp -73.02 -63.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.7 m-80 -42.88 -53.54 4.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.409 ' C ' ' O ' ' B' ' 38' ' ' ASN . 1.0 OUTLIER -38.95 -44.46 1.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.76 -58.96 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.554 HD13 ' N ' ' B' ' 91' ' ' GLY . 12.0 mt -50.33 -46.5 25.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.49 -39.21 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.551 ' CG ' HD11 ' B' ' 26' ' ' LEU . 1.2 t30 -62.54 -70.62 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' B' ' 23' ' ' LEU . 52.6 mt -45.99 -48.98 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.409 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.2 OUTLIER -37.7 -57.4 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -82.57 -44.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.97 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.2 m -102.66 160.33 14.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.962 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.454 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 61.3 m -90.06 178.92 6.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.976 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.6 OUTLIER -74.75 -40.32 61.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -33.47 70.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -44.64 79.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 7.8 m0 -53.8 109.44 1.52 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.018 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.03 37.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.772 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -84.07 130.2 34.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.18 164.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 95.3 m-20 -110.79 109.83 20.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 15.8 ttm -83.56 108.27 16.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -81.85 132.5 35.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.479 HG11 ' HB1' ' B' ' 125' ' ' ALA . 53.1 t -135.16 102.55 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.3 -168.01 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' B' ' 61' ' ' ALA . 19.2 t0 -36.77 -56.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.861 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -152.33 69.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 44.9 m -159.83 141.98 13.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.434 HG21 HG13 ' B' ' 126' ' ' VAL . 53.5 t -131.09 96.16 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 78' ' ' VAL . 57.7 m -111.98 147.9 34.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.602 HG12 HD12 ' B' ' 77' ' ' LEU . 89.1 t -114.34 100.81 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.4 mt -98.76 147.41 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.464 ' HA ' HD11 ' B' ' 77' ' ' LEU . 5.1 t -57.9 132.77 54.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.7 OUTLIER -46.33 -51.25 15.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -95.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -48.64 134.56 15.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -96.55 -5.7 38.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -115.91 18.93 15.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -112.8 88.98 2.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.453 ' O ' HD23 ' B' ' 77' ' ' LEU . 7.3 p -68.64 152.68 9.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.602 HD12 HG12 ' B' ' 67' ' ' VAL . 19.6 mt -122.15 -53.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 2.2 t -141.81 142.03 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.58 94.34 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.675 ' SG ' HD12 ' B' ' 85' ' ' LEU . 13.3 t -95.33 94.33 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.469 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.3 mpt_? -68.25 113.83 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.861 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.6 -27.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.8 OUTLIER -71.79 -44.3 64.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 9.2 m-30 -78.82 -35.23 44.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.675 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -40.02 135.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -105.3 -61.53 1.47 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 54.2 t80 -130.92 160.95 32.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.892 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.6 137.08 2.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.33 -146.09 5.68 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 15' ' ' GLN . 1.6 m -131.3 168.36 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.554 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -92.37 -95.83 1.39 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -111.12 -32.07 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.32 123.72 50.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 10.7 m -55.68 -29.62 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -52.71 -22.18 4.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.572 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 22.0 p -98.1 157.94 15.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.528 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.8 t80 -158.41 113.34 2.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.764 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -115.82 165.16 13.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.2 p90 -159.26 144.31 15.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.504 HG21 ' HA ' ' B' ' 31' ' ' PRO . 4.3 mt -97.46 139.53 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.519 ' HE2' HG22 ' B' ' 103' ' ' THR . 27.8 ptm -139.07 145.12 39.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -90.22 117.8 29.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.519 HG22 ' HE2' ' B' ' 101' ' ' MET . 27.9 p -113.76 -61.69 1.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . -89.63 -169.45 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.43 92.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.593 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 16.1 mt-30 69.4 7.13 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -63.58 159.03 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 11.8 m-85 -141.68 126.26 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.37 131.15 56.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 49.4 t -104.11 114.71 29.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.572 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.2 m-70 -110.52 108.12 17.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.608 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.764 HG22 ' HB2' ' B' ' 98' ' ' ALA . 41.8 t -90.38 162.32 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 43.5 m-85 -152.0 169.28 22.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -127.55 108.3 10.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 107.993 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.796 ' SG ' HG21 ' B' ' 122' ' ' VAL . 21.9 m -103.06 157.19 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 1.6 mt-10 -136.1 132.82 19.32 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -58.69 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.013 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -103.77 176.93 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -98.27 30.18 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.663 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -65.56 -45.54 82.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -73.76 -46.9 42.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.854 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.4 t -60.54 -59.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.245 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 119' ' ' ALA . 54.6 p -52.54 -39.51 61.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' B' ' 126' ' ' VAL . 7.2 tp10 -68.15 -59.4 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.479 ' HB1' HG11 ' B' ' 60' ' ' VAL . . . -44.18 -27.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.892 HG12 ' HE1' ' B' ' 88' ' ' MET . 11.9 t -93.2 -41.26 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -56.76 -31.71 64.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' B' ' 132' ' ' GLY . . . -86.61 -42.22 13.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 62' ' ' ASP . . . -49.61 -40.47 39.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.692 ' SG ' HG22 ' B' ' 82' ' ' VAL . 65.2 m -65.92 -50.02 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 108.301 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 14.7 p -163.39 86.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' B' ' 128' ' ' ALA . . . -67.74 -135.27 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.68 8.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 50.1 p -80.97 90.23 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 97.6 p -136.05 155.48 50.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.657 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 8.2 t0 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 1' ' ' ASP . . . 80.9 -70.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -51.53 160.56 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.683 HG22 ' H ' ' A' ' 5' ' ' THR . 4.4 p -58.6 178.32 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.683 ' H ' HG22 ' A' ' 4' ' ' VAL . 7.6 t -92.07 145.74 31.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 57.02 4.39 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.481 1.779 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 4.0 tp10 -160.5 -52.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.509 ' H ' HG23 ' A' ' 5' ' ' THR . 1.7 tm-20 -48.47 -38.51 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -56.2 -41.27 75.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -63.11 -42.2 99.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.623 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.902 HD11 ' HB2' ' B' ' 120' ' ' ALA . 59.7 mt -71.34 -64.43 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -38.87 -30.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.44 -60.49 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.3 mtt -53.48 -23.38 10.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -66.31 -25.98 67.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -120.84 -72.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 17' ' ' ASN . 10.3 m-80 -50.4 -65.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.77 -179.34 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.59 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 57.1 t80 -123.51 133.03 54.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.756 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.2 99.4 6.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 6.9 t-20 -57.79 110.51 2.57 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.75 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.489 1.784 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.433 HG22 ' CG ' ' A' ' 21' ' ' ASN . 6.0 t -41.87 -35.76 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 11.1 t80 -53.75 -48.53 69.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.41 -75.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.439 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 12.0 t80 51.47 81.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 62.42 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -75.41 71.11 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER 36.09 43.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 mmt -64.28 96.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 111.031 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -120.31 -52.25 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.8 t30 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -178.05 117.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.764 . . . . 0.0 110.033 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.37 164.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.57 178.75 40.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.54 168.03 18.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.2 171.46 19.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.036 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.62 74.61 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.97 43.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 40.1 p -139.15 136.79 18.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.43 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.3 Cg_endo -74.94 115.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.496 1.787 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -161.73 97.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.1 t -59.28 131.28 50.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.74 168.26 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.15 168.57 9.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.517 ' O ' ' CE ' ' B' ' 17' ' ' LYS . 21.1 t -120.6 161.79 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.407 ' C ' ' HE3' ' B' ' 17' ' ' LYS . 0.1 OUTLIER -81.1 -44.47 17.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.517 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 67.68 148.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 52.1 m-85 -155.07 104.65 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 116.16 12.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.559 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.2 m -144.95 -162.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.559 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -113.84 167.42 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -122.28 113.72 19.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.505 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -74.87 -35.07 62.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.21 177.95 15.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' B' ' 111' ' ' HIS . 4.0 tmm? -91.48 138.58 31.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.752 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.955 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -126.06 133.55 25.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.955 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.98 128.3 11.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 18.6 m -118.13 -172.22 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.76 -52.33 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -91.26 147.17 34.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -19.21 18.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.47 1.774 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.56 168.16 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.26 141.78 7.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 82.6 mmm -81.35 -42.23 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.92 -22.03 9.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -89.71 -45.03 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -66.51 -63.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.96 -50.64 4.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -40.63 -54.45 2.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.71 -59.89 3.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.581 HD13 ' N ' ' B' ' 91' ' ' GLY . 4.9 mt -47.04 -52.85 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.401 ' O ' HG22 ' B' ' 46' ' ' THR . 3.7 mt-10 -60.25 -33.45 72.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -70.5 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.633 ' HG ' HD23 ' B' ' 26' ' ' LEU . 14.6 mt -47.51 -43.1 24.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.8 mmt -41.65 -60.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.401 HG22 ' O ' ' B' ' 42' ' ' GLU . 2.2 t -79.47 -32.43 42.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.389 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 1.9 t -44.23 -65.07 0.56 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.58 1.175 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 48.3 m -114.41 -177.4 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.038 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 68.5 m -94.06 -178.99 4.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.73 -35.93 44.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.242 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -73.3 -30.68 63.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -59.34 -41.04 88.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -55.88 109.63 1.77 Allowed Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.17 35.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -86.73 134.24 33.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 m -135.14 -178.18 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.4 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 35.1 m-20 -133.52 108.92 8.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.415 ' HG2' ' CG2' ' B' ' 60' ' ' VAL . 25.6 ttm -82.67 99.04 9.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.779 ' ND2' HD12 ' B' ' 68' ' ' ILE . 8.3 m-80 -76.29 120.36 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.415 ' CG2' ' HG2' ' B' ' 58' ' ' MET . 24.4 t -125.03 109.51 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -109.45 -150.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -40.59 -67.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 1.006 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -150.15 67.85 0.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 74.1 m -158.74 142.83 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' B' ' 80' ' ' CYS . 39.9 t -128.71 101.19 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 29.2 m -114.15 133.55 55.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.376 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.557 HG12 HD12 ' B' ' 77' ' ' LEU . 77.9 t -100.23 101.42 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.779 HD12 ' ND2' ' B' ' 59' ' ' ASN . 32.5 mt -99.33 148.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.634 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.4 t -59.15 134.15 56.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.4 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.61 -55.0 21.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 110.305 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.54 -79.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -71.6 122.59 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.496 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.4 tt0 -88.41 -13.87 39.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -104.07 32.06 4.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.254 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -134.51 87.88 2.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.41 ' O ' HD23 ' B' ' 77' ' ' LEU . 2.8 p -61.91 151.96 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.634 HD11 ' HA ' ' B' ' 69' ' ' SER . 12.5 mt -121.04 -50.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.33 138.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.424 ' O ' ' CE ' ' B' ' 101' ' ' MET . 8.4 tt0 -118.66 94.4 4.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.656 ' SG ' HD12 ' B' ' 85' ' ' LEU . 10.5 t -95.96 87.67 4.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 21.8 mmt180 -66.27 116.22 7.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 1.006 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.92 -34.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -66.19 -45.17 81.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.459 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 14.8 m-85 -75.34 -36.83 60.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.656 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.61 140.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.46 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 13.0 p -112.93 -56.42 2.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.036 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 48.7 t80 -136.03 153.94 51.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.532 ' HE2' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -160.76 127.08 4.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -164.12 -156.91 9.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.132 . . . . 0.0 111.054 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.521 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.8 m -123.74 167.97 16.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.581 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -93.61 -97.88 1.52 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -108.22 -30.52 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 0.759 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.461 ' OD2' ' ND1' ' B' ' 95' ' ' HIS . 0.2 OUTLIER -106.51 152.61 23.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.438 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.2 m -84.6 -25.72 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.461 ' ND1' ' OD2' ' B' ' 93' ' ' ASP . 1.7 m80 -64.1 -12.42 39.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.557 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 33.1 p -104.93 144.09 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.378 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.666 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 28.7 t80 -148.54 113.7 5.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.567 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -112.8 170.54 8.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.599 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.8 p90 -163.8 143.03 7.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.2 mt -95.4 134.21 33.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 25.8 ptm -132.78 139.35 47.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -88.58 119.66 29.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 6.9 p -110.23 40.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 99.57 137.04 9.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.92 -170.75 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.531 ' O ' ' CE2' ' B' ' 108' ' ' PHE . 76.1 mt-30 -68.96 -6.58 28.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.451 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.7 OUTLIER -56.05 140.31 44.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' B' ' 106' ' ' GLN . 18.6 m-85 -140.38 133.49 29.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -118.02 146.75 43.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.423 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 11.9 t -118.37 129.72 55.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.579 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.0 m-70 -119.36 110.78 17.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.633 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' B' ' 98' ' ' ALA . 21.5 t -90.06 164.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.556 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.0 m-85 -154.26 166.55 32.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.568 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 16.3 t-105 -125.0 93.45 3.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.448 ' SG ' HG21 ' B' ' 122' ' ' VAL . 26.4 m -83.95 160.65 21.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.8 mt-10 -141.67 131.32 12.61 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -74.97 -60.84 0.06 OUTLIER 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.985 -2.506 . . . . 0.0 110.991 -0.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.438 ' CB ' HG23 ' B' ' 94' ' ' VAL . 14.1 p-10 -103.35 170.32 8.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.47 28.47 4.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.902 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -60.94 -42.15 97.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' B' ' 124' ' ' GLU . 2.0 m120 -77.55 -61.0 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.886 ' O ' HG23 ' B' ' 126' ' ' VAL . 1.7 t -41.47 -54.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 85.8 p -58.17 -38.32 76.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' B' ' 121' ' ' ASN . 21.5 tt0 -69.62 -62.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.433 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -41.96 -28.36 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 122' ' ' VAL . 21.3 t -92.11 -42.83 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' B' ' 124' ' ' GLU . 51.4 tt0 -57.22 -37.15 71.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.24 -26.96 32.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' B' ' 126' ' ' VAL . . . -53.35 -58.83 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' B' ' 82' ' ' VAL . 87.0 m -46.75 -60.48 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 108.28 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' B' ' 130' ' ' CYS . 0.4 OUTLIER 87.9 -32.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.04 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 57.23 166.85 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -60.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -63.3 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 59.5 p -101.29 117.19 34.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.21 140.11 27.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.02 86.8 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.713 HG12 ' NH1' ' A' ' 9' ' ' ARG . 0.6 OUTLIER -94.47 166.78 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.745 HG23 ' HD2' ' A' ' 6' ' ' PRO . 2.8 m -57.35 146.37 63.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.442 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.745 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.98 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.487 1.783 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' B' ' 120' ' ' ALA . 13.7 tt0 -53.38 -41.03 65.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.525 ' H ' HG22 ' A' ' 5' ' ' THR . 1.1 tm-20 -61.77 -53.58 54.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.713 ' NH1' HG12 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -51.37 -49.5 61.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -52.77 -23.94 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.557 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.833 HD21 ' HA ' ' B' ' 120' ' ' ALA . 89.2 mt -94.8 -50.19 5.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -46.76 -42.32 16.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -62.61 -38.99 92.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.44 ' HE1' ' CB ' ' A' ' 19' ' ' TYR . 0.9 OUTLIER -80.36 -9.64 59.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' B' ' 90' ' ' VAL . 1.5 mt-30 -80.11 -20.62 44.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.72 -51.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 13' ' ' LYS . 0.5 OUTLIER -62.58 -21.56 65.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 43.88 -169.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.44 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 85.0 t80 -138.26 137.61 37.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' CG ' HG11 ' B' ' 32' ' ' VAL . 4.3 tt0 -122.27 106.93 11.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.75 119.5 54.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -41.22 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.463 1.77 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -40.6 -47.08 2.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE2' ' CD2' ' A' ' 26' ' ' PHE . 8.4 t80 -46.18 -51.87 13.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt 61.67 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.443 ' CD2' ' CE2' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -147.55 129.98 15.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -99.77 178.92 4.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 54.24 85.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -153.23 131.9 12.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 mmt 55.61 94.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -41.0 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.297 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 p -164.09 171.21 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 110.001 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -167.67 161.07 13.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.29 -164.72 10.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.48 165.27 1.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.18 171.38 18.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.54 98.04 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -173.98 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 36.5 p -141.07 142.47 27.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.367 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.2 Cg_endo -75.04 117.08 4.78 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.779 . . . . 0.0 111.034 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -165.2 117.23 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.331 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -108.35 150.63 27.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.5 -161.36 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.02 119.15 38.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.96 HG22 ' HB2' ' B' ' 61' ' ' ALA . 24.6 t -114.2 156.42 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.57 -39.13 22.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.516 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 64.5 149.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' B' ' 17' ' ' LYS . 52.3 m-85 -162.14 93.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.451 ' NE ' ' OE2' ' B' ' 70' ' ' GLU . 1.7 tmm_? -70.55 102.43 2.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 21' ' ' GLN . 3.3 m -126.3 -164.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.407 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 tt0 -106.52 170.72 7.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.11 112.12 14.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.55 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -75.51 -33.62 60.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.507 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 125.91 -175.09 17.67 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.433 1.083 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.529 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -103.79 127.45 51.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.98 133.93 22.24 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.94 137.06 21.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.467 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 17.3 m -126.2 -174.08 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.97 -54.6 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mmt-85 -89.66 151.6 45.98 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.34 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.8 8.92 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.492 HG11 ' CG ' ' A' ' 20' ' ' GLU . 25.9 m -129.91 159.9 41.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.74 134.01 3.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 86.0 mmm -77.44 -41.6 39.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.73 -26.22 9.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 18.8 m -90.05 -33.93 16.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -69.75 -60.3 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.422 ' HA ' HD12 ' B' ' 41' ' ' ILE . 2.1 m-80 -49.7 -53.61 23.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.41 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.53 -49.86 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -56.64 19.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' B' ' 38' ' ' ASN . 27.2 mt -49.08 -46.59 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.444 ' O ' HG22 ' B' ' 46' ' ' THR . 5.5 mt-10 -62.85 -46.85 85.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.506 ' ND2' HD11 ' B' ' 26' ' ' LEU . 2.0 t-20 -55.93 -65.4 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.704 ' HG ' HD23 ' B' ' 26' ' ' LEU . 25.5 mt -49.63 -53.5 23.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.539 ' CE ' HG21 ' B' ' 96' ' ' THR . 3.6 mmt -37.28 -66.05 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.492 HG23 ' N ' ' B' ' 47' ' ' SER . 5.5 t -69.25 -53.24 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.368 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.492 ' N ' HG23 ' B' ' 46' ' ' THR . 2.4 m -36.91 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.41 ' O ' ' O ' ' B' ' 45' ' ' MET . 69.1 m -91.46 164.66 13.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.985 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' B' ' 53' ' ' TRP . 51.4 m -88.16 176.85 7.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.82 -36.74 42.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -77.66 -25.36 49.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.23 -36.41 84.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.7 m0 -55.67 110.69 2.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 107.984 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 153.01 41.62 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.8 p -79.94 128.77 33.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.17 168.72 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.418 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 99.6 m-20 -115.15 112.12 22.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.486 ' SD ' HG13 ' B' ' 65' ' ' VAL . 15.2 tpp -88.85 101.64 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -78.83 132.31 36.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 37.7 t -134.7 102.4 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.96 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -102.69 -154.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 36.2 t0 -39.23 -71.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 1.045 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -143.37 67.71 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.533 HG23 ' HD3' ' B' ' 81' ' ' ARG . 87.3 m -157.8 146.07 19.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.599 HG21 HG13 ' B' ' 126' ' ' VAL . 37.9 t -133.11 102.86 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.6 m -114.17 146.19 40.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.413 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.588 HG12 HD12 ' B' ' 77' ' ' LEU . 71.4 t -115.36 97.71 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.446 HG21 ' O ' ' B' ' 73' ' ' GLU . 11.8 mt -98.26 147.4 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.654 ' HA ' HD11 ' B' ' 77' ' ' LEU . 4.6 t -56.46 128.35 35.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.956 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.451 ' OE2' ' NE ' ' B' ' 19' ' ' ARG . 0.4 OUTLIER -42.92 -52.31 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -58.82 120.29 8.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.446 ' O ' HG21 ' B' ' 68' ' ' ILE . 1.0 OUTLIER -85.7 -13.18 49.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.142 . . . . 0.0 110.336 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -106.9 18.86 21.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -117.01 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.543 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.0 p -64.65 155.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.654 HD11 ' HA ' ' B' ' 69' ' ' SER . 11.2 mt -126.29 -52.99 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -141.13 131.97 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 109.227 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -114.13 94.02 4.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.798 ' SG ' HD12 ' B' ' 85' ' ' LEU . 6.7 t -96.45 98.46 10.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.533 ' HD3' HG23 ' B' ' 64' ' ' THR . 18.1 mmt85 -77.48 118.72 20.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 1.045 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -46.75 -27.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -74.04 -39.18 63.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.36 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.0 m-85 -81.33 -37.93 27.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.798 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.41 152.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 33.9 p -129.08 -55.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' B' ' 100' ' ' ILE . 12.5 t80 -127.03 151.91 47.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.586 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -163.62 119.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -158.86 -158.77 9.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.569 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -124.55 170.66 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.569 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -96.65 -121.56 4.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -81.87 -30.62 31.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.02 139.42 53.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.49 -31.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 15.6 m80 -44.98 -29.35 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.72 HG22 ' CE3' ' B' ' 114' ' ' TRP . 71.9 p -100.94 139.66 36.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.583 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 15.7 t80 -139.12 119.12 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.752 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -119.66 168.22 11.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 9.5 p90 -160.61 145.55 14.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.707 HD12 ' HB3' ' B' ' 87' ' ' PHE . 3.7 mt -95.9 124.68 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.433 ' HG3' HG23 ' B' ' 103' ' ' THR . 27.1 ptm -121.73 143.62 49.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.59 117.43 25.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.433 HG23 ' HG3' ' B' ' 101' ' ' MET . 82.7 p -118.14 57.62 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.35 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 140.98 -149.87 21.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -57.34 -79.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.584 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 4.7 mt-30 -118.99 1.53 11.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -55.81 140.27 42.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.584 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.1 m-85 -133.53 137.77 45.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -128.33 128.64 44.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 33.6 t -99.06 118.81 36.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 108.306 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 90.4 m-70 -113.56 110.39 20.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.752 HG22 ' HB2' ' B' ' 98' ' ' ALA . 33.6 t -90.78 160.39 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.543 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 64.8 m-85 -153.85 148.63 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.72 ' CE3' HG22 ' B' ' 96' ' ' THR . 65.3 t-105 -101.93 117.73 35.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.569 ' SG ' HG21 ' B' ' 122' ' ' VAL . 56.6 m -107.1 151.65 25.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 108.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.457 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.0 mt-10 -134.25 128.62 19.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -57.88 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.049 -2.48 . . . . 0.0 110.974 0.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -103.77 172.11 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' B' ' 123' ' ' SER . . . -96.91 40.73 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.833 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -73.78 -63.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -58.57 -36.53 74.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.739 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -67.13 -66.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.414 ' N ' HG12 ' B' ' 122' ' ' VAL . 77.8 p -48.82 -40.05 27.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.934 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -70.25 -54.2 13.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.414 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.6 -26.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 122' ' ' VAL . 13.3 t -93.57 -50.79 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.359 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.417 ' NE2' ' HE3' ' A' ' 13' ' ' LYS . 2.4 tt0 -54.84 -30.07 56.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.43 -27.17 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -65.84 -44.21 86.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.462 ' SG ' HG22 ' B' ' 82' ' ' VAL . 7.7 m -51.66 -38.59 55.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 108.316 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 16.6 t -173.21 -60.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.9 168.53 44.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.62 24.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.25 102.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.38 97.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 O-C-N 124.56 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.19 168.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.75 83.06 2.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.7 m -62.1 174.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.7 p -56.89 159.56 7.15 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -27.71 9.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -74.33 -60.37 2.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.362 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -39.25 -44.17 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -54.39 -54.28 42.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -45.94 -45.81 15.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.618 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' B' ' 120' ' ' ALA . 83.5 mt -65.92 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.2 OUTLIER -39.56 -52.19 2.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.049 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -48.34 -51.67 25.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 11.2 mtt -60.02 -49.01 79.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -44.04 -33.35 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -111.64 -92.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 3.7 m-80 -33.65 -63.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.67 -175.01 46.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CE1' ' HG2' ' B' ' 127' ' ' GLN . 43.3 t80 -127.32 132.48 50.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 111.029 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -124.62 103.0 7.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 2.0 t-20 -55.1 114.89 7.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -38.66 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.1 t -45.4 -47.46 13.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.514 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 9.2 t80 -43.4 115.69 0.82 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp -140.9 89.63 2.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.07 124.22 42.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -62.5 124.68 21.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.04 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -97.24 146.59 24.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.39 99.61 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 16.6 ptt? -170.67 170.92 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -55.17 150.25 11.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.2 p30 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.81 165.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.27 91.79 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.68 178.94 36.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.99 150.03 41.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.28 136.58 4.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.24 163.12 10.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 169.25 23.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 9.8 t -91.26 145.41 31.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.386 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.3 Cg_endo -74.95 123.32 7.82 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.466 1.771 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.89 132.57 47.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.2 p -59.45 87.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.75 171.68 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.39 127.04 44.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -109.14 155.38 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.38 -56.78 4.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mttt 69.38 148.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.723 ' O ' HG13 ' B' ' 20' ' ' VAL . 43.2 m-85 -157.3 92.38 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -60.07 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.723 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.6 m -127.52 -162.54 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.429 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.1 tt0 -107.75 171.5 7.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.448 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.5 t80 -127.42 99.29 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.617 HD22 HG11 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -62.5 -44.88 95.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.38 -172.91 21.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.545 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 5.7 ttp -107.78 136.23 47.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.928 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -122.38 133.45 24.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.928 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.98 143.25 28.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.536 1.809 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -133.68 -168.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.33 -48.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -96.82 150.03 36.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -25.77 11.47 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 m -133.53 142.49 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.31 115.55 0.37 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.123 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.91 -29.58 70.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 0.788 . . . . 0.0 111.002 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.38 -28.04 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 3.0 m -72.23 -57.19 4.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -60.33 2.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -49.36 -50.02 41.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -49.7 4.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.42 -65.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.617 HG12 HG13 ' B' ' 112' ' ' VAL . 19.8 mt -44.43 -47.42 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -58.26 -36.86 73.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.475 ' CG ' HD11 ' B' ' 26' ' ' LEU . 1.0 OUTLIER -67.51 -67.62 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.661 ' HG ' HD23 ' B' ' 26' ' ' LEU . 10.5 mt -49.84 -47.08 51.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.419 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -36.81 -44.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.8 t -98.94 -38.24 9.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.92 -45.7 5.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -128.75 161.52 29.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -79.71 176.83 9.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.624 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -73.28 -43.03 61.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.27 -38.5 71.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.09 -36.21 39.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.624 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 20.8 m0 -60.27 111.15 3.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 107.973 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.448 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.97 169.97 21.44 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.401 ' C ' HG13 ' B' ' 56' ' ' VAL . 2.4 t -95.63 149.77 21.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.401 HG13 ' C ' ' B' ' 55' ' ' SER . 28.4 m -152.3 169.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 82.6 m-20 -113.61 107.29 15.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' HG13 ' B' ' 65' ' ' VAL . 18.4 tpp -82.52 103.56 12.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -77.58 129.79 36.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.482 HG11 ' O ' ' B' ' 125' ' ' ALA . 69.5 t -132.12 99.5 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -101.27 -161.84 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' B' ' 61' ' ' ALA . 60.6 t0 -36.96 -66.81 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.962 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -145.75 68.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 63' ' ' ALA . 89.0 m -158.78 146.01 17.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.407 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.633 HG21 HG13 ' B' ' 126' ' ' VAL . 42.6 t -133.55 97.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 36.4 m -112.46 138.76 48.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.488 HG12 HD12 ' B' ' 77' ' ' LEU . 73.0 t -107.49 97.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 10.6 mt -92.96 148.58 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.747 ' HA ' HD11 ' B' ' 77' ' ' LEU . 3.6 t -56.85 138.26 53.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -50.07 -61.22 2.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.38 -86.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -53.27 132.58 39.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -97.24 -18.62 19.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -105.79 40.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -139.53 85.04 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.479 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.7 p -61.56 154.45 4.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.747 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.4 mt -122.98 -52.44 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.7 t -140.01 131.1 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -113.45 93.81 4.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.8 t -96.8 91.05 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' B' ' 84' ' ' PHE . 14.8 mmt180 -70.32 114.46 8.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.962 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -41.02 -37.71 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -47.91 80.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.48 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 22.4 m-85 -71.02 -39.36 72.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.74 144.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.514 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 14.6 p -115.3 -53.23 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.991 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' B' ' 88' ' ' MET . 4.9 t80 -142.28 156.69 45.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.624 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -160.9 135.85 7.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.8 -156.18 9.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.424 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -122.5 164.89 19.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.424 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -90.49 -112.44 1.56 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' B' ' 93' ' ' ASP . 0.0 OUTLIER -92.16 -33.26 14.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.465 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -118.86 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.433 ' C ' ' N ' ' B' ' 96' ' ' THR . 33.4 m -53.33 -39.59 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.465 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 6.8 m80 -38.83 -30.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.579 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.647 HG22 ' CE3' ' B' ' 114' ' ' TRP . 16.2 p -95.68 146.05 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.597 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 42.1 t80 -143.09 113.56 7.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' B' ' 111' ' ' HIS . . . -112.24 172.71 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.3 p90 -168.15 143.25 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mt -94.8 134.89 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 26.4 ptm -135.2 147.31 49.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -89.07 121.94 31.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 80.6 p -119.72 51.02 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.74 -151.49 23.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.28 -79.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.578 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 23.2 mt-30 -119.46 9.5 11.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 8.4 mpt_? -56.09 146.77 21.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.578 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 16.0 m-85 -139.19 121.25 15.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' B' ' 109' ' ' GLU . 5.5 mp0 -118.33 129.49 55.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.6 t -105.97 119.09 38.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.545 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 97.0 m-70 -103.02 164.5 11.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.546 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.617 HG11 HD22 ' B' ' 23' ' ' LEU . 13.8 t -140.65 153.38 21.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 29.7 m-85 -150.3 154.11 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.647 ' CE3' HG22 ' B' ' 96' ' ' THR . 66.2 t-105 -111.32 115.34 29.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 107.992 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.667 ' SG ' HG21 ' B' ' 122' ' ' VAL . 12.6 m -109.95 161.76 15.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 49.4 mt-10 -140.81 133.58 14.47 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.1 Cg_endo -75.01 -59.3 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.053 -2.478 . . . . 0.0 111.005 0.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -106.84 166.34 10.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.448 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -92.74 51.37 1.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -85.29 -48.05 9.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -73.43 -36.38 65.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.923 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -63.06 -72.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.597 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 4.9 m -47.3 -33.23 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 10.2 tt0 -68.58 -59.91 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.482 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -51.43 -22.05 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.923 HG23 ' O ' ' B' ' 122' ' ' VAL . 8.3 t -89.17 -59.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.47 ' HG2' ' CE1' ' A' ' 19' ' ' TYR . 1.0 OUTLIER -47.57 -37.27 12.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.344 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.422 ' HA ' ' CA ' ' B' ' 132' ' ' GLY . . . -70.7 -35.98 73.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' B' ' 126' ' ' VAL . . . -55.11 -49.57 71.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.605 ' SG ' HG22 ' B' ' 82' ' ' VAL . 23.2 m -51.79 -52.51 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 108.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.75 -55.68 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . 0.422 ' CA ' ' HA ' ' B' ' 128' ' ' ALA . . . 82.5 168.3 41.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.72 36.64 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 78.1 p -119.1 135.06 54.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 11.1 t 62.88 169.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 t70 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.57 -58.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.76 74.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 m -61.09 -172.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.748 HG23 ' HD2' ' A' ' 6' ' ' PRO . 2.3 m -62.79 146.67 94.61 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.748 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 -49.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.803 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.527 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 2.7 tp10 -59.2 -55.9 29.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.582 ' H ' HG22 ' A' ' 5' ' ' THR . 3.7 tp10 -40.25 -45.17 2.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -52.83 -52.48 56.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -47.12 -48.71 22.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.572 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' B' ' 120' ' ' ALA . 89.0 mt -63.86 -56.37 15.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.32 -24.45 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' ASN . 13.3 tttt -78.71 -69.84 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -16.38 2.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' CD ' HG12 ' B' ' 94' ' ' VAL . 1.3 mt-30 -63.16 -32.24 73.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -144.47 -46.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' LYS . 8.1 m120 -59.6 -22.24 61.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 51.89 -157.68 3.24 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -163.45 135.98 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.61 109.67 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' ND2' ' SG ' ' B' ' 130' ' ' CYS . 15.8 t-20 -55.01 114.47 7.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 71.49 4.97 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.8 t -166.43 -43.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.396 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 9.2 t80 -43.68 -56.69 3.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.87 135.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -172.7 158.2 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 26' ' ' PHE . 11.9 m-85 -163.82 -174.34 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.5 74.98 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -165.7 115.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 ttm -105.47 161.89 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 111.007 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -79.12 174.55 11.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.4 t30 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -142.01 136.32 30.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 0.728 . . . . 0.0 109.944 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.24 160.49 40.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.17 178.54 43.52 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.79 151.6 20.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.01 164.89 4.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.85 126.11 0.88 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 101.17 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.406 HG23 ' H ' ' B' ' 9' ' ' THR . 80.5 p -39.19 156.24 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.59 38.33 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.436 1.756 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.3 63.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.6 m -149.86 146.03 26.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.438 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -125.77 177.52 6.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 64.46 116.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.36 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.872 HG22 ' HB2' ' B' ' 61' ' ' ALA . 66.3 t -142.01 154.97 19.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.96 -39.25 21.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 64.39 150.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.108 . . . . 0.0 109.26 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.497 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 56.8 m-85 -159.82 91.06 0.95 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -67.53 104.73 1.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.433 HG13 ' O ' ' B' ' 18' ' ' PHE . 4.0 m -130.07 -164.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.27 171.5 7.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.99 108.93 11.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.642 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -72.16 -34.42 68.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.63 -170.47 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -108.99 126.33 52.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.73 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.006 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -113.16 134.02 21.94 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 1.006 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -75.02 144.52 30.27 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.402 ' HB ' HG23 ' B' ' 36' ' ' THR . 6.8 m -135.03 175.96 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -113.98 -55.4 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -89.79 149.25 41.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.435 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -29.82 7.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.2 m -129.61 129.31 66.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.51 134.67 1.91 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -40.29 52.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.797 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.86 -34.94 72.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.402 HG23 ' HB ' ' B' ' 28' ' ' VAL . 1.0 OUTLIER -68.61 -25.63 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.481 HD21 ' H ' ' B' ' 89' ' ' GLY . 11.2 tp -79.25 -58.24 3.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.34 -44.55 72.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 46.9 t -44.06 -46.47 8.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -64.2 -64.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 mt -41.33 -50.91 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -61.58 -40.51 95.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -62.42 -63.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.613 ' HG ' HD23 ' B' ' 26' ' ' LEU . 50.5 mt -52.63 -45.87 66.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 1.4 mmt -40.47 -48.58 2.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.1 t -90.01 -38.41 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.377 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.9 t -39.55 -66.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -108.34 -175.51 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 33.1 m -99.68 171.54 7.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.69 -31.57 65.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -81.65 -30.02 32.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -60.68 -41.55 95.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.6 m0 -49.74 110.86 1.76 Allowed Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.07 158.06 42.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.9 p -84.04 133.98 34.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.37 -177.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.409 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 77.1 m-20 -130.35 109.13 10.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.2 ttm -84.44 102.34 12.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.473 ' ND2' HD12 ' B' ' 68' ' ' ILE . 5.2 m-80 -79.4 129.22 34.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . . . . . . . . . 34.0 t -132.97 104.28 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.872 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -105.51 -154.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' B' ' 61' ' ' ALA . 11.2 t70 -39.99 -67.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.998 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -147.43 67.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 60.6 m -158.86 134.13 8.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.471 HG21 HG13 ' B' ' 126' ' ' VAL . 49.7 t -121.94 96.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.604 HG23 ' HG3' ' B' ' 79' ' ' GLU . 25.1 m -110.31 148.79 31.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' B' ' 77' ' ' LEU . 61.6 t -115.52 101.13 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.473 HD12 ' ND2' ' B' ' 59' ' ' ASN . 14.7 mt -101.01 137.22 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.79 ' HA ' HD11 ' B' ' 77' ' ' LEU . 4.8 t -41.81 151.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -67.5 -57.38 6.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 110.301 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.69 -70.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' B' ' 69' ' ' SER . 60.7 m-20 -72.93 140.61 47.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.85 -0.97 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.43 2.13 13.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.414 ' O ' HG23 ' B' ' 68' ' ' ILE . 16.4 tt0 -102.14 99.23 9.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.915 ' O ' HD23 ' B' ' 77' ' ' LEU . 3.1 p -68.99 162.91 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.915 HD23 ' O ' ' B' ' 76' ' ' VAL . 15.2 mt -134.62 -48.29 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.261 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 t -146.65 142.33 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.604 ' HG3' HG23 ' B' ' 66' ' ' THR . 4.2 tt0 -124.41 95.05 4.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.633 ' SG ' HD12 ' B' ' 85' ' ' LEU . 13.6 t -96.15 92.22 6.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.089 . . . . 0.0 108.324 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' B' ' 84' ' ' PHE . 22.5 mmt180 -78.44 116.32 18.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.998 HG21 ' HB1' ' B' ' 63' ' ' ALA . 24.2 m -38.59 -45.35 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.404 ' N ' HG23 ' B' ' 82' ' ' VAL . 0.2 OUTLIER -52.97 -50.74 63.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.499 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 29.5 m-85 -72.6 -37.25 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.633 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -43.2 144.7 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.512 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 87.5 p -118.01 -51.79 2.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -140.6 152.91 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.599 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -160.51 130.7 5.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 111.063 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.481 ' H ' HD21 ' B' ' 37' ' ' LEU . . . -165.0 -156.64 9.17 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.492 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -127.53 166.74 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.492 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -88.75 -117.49 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -91.95 -29.8 16.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.21 136.8 48.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.496 ' HB ' HD13 ' A' ' 11' ' ' LEU . 5.5 m -74.81 -3.43 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 11.7 m80 -76.87 -19.6 57.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.629 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 71.7 p -102.35 160.92 14.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.595 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 53.9 t80 -157.68 113.65 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.879 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.97 156.48 27.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -150.1 141.89 23.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mt -94.88 124.29 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.9 ptm -121.46 148.06 44.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -91.71 102.48 15.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.89 65.56 1.04 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.401 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . 141.25 -175.87 22.04 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.531 1.145 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -62.1 88.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.424 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 56.5 mt-30 68.09 7.7 6.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.429 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.1 OUTLIER -59.15 143.75 47.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' B' ' 31' ' ' PRO . 17.7 m-85 -137.2 114.89 11.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -116.98 128.25 55.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.684 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 30.4 t -99.29 116.43 31.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.304 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.562 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.2 m-70 -107.55 109.1 20.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.568 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.879 HG22 ' HB2' ' B' ' 98' ' ' ALA . 41.8 t -90.3 158.45 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 66.7 m-85 -151.5 148.36 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -103.28 119.35 38.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.036 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -111.16 153.61 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.317 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.57 130.9 19.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.261 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.623 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.3 Cg_endo -74.94 -58.55 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.014 -0.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -102.89 167.2 10.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.84 52.26 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.72 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -85.43 -51.13 6.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -64.22 -41.08 97.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.952 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.6 t -60.83 -67.32 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.595 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 3.7 m -53.12 -32.41 47.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 8.0 tp10 -70.68 -53.72 14.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.497 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -56.53 -19.5 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.952 HG23 ' O ' ' B' ' 122' ' ' VAL . 14.9 t -93.59 -53.57 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -52.22 -24.18 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.22 -31.83 18.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -62.21 -37.59 85.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.441 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 90.7 m -79.77 -45.38 18.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 108.311 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 21.2 m -46.64 -55.13 8.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.42 168.75 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.57 4.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 52.3 p -49.89 141.99 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 12.7 t 67.23 120.71 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.943 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.3 63.49 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.371 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.23 92.88 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.549 HG22 ' H ' ' A' ' 5' ' ' THR . 8.2 p -49.05 171.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.549 ' H ' HG22 ' A' ' 4' ' ' VAL . 48.3 p -137.05 157.4 74.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.442 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.15 5.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.523 1.801 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.17 -54.75 18.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 11' ' ' LEU . 1.6 tp10 -55.84 -55.81 28.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.75 -40.95 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -64.83 -41.05 96.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.589 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' B' ' 120' ' ' ALA . 54.4 mt -73.35 -58.45 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 9.1 m -39.84 -48.73 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -51.89 -48.7 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.2 mtt -71.55 -13.27 61.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.459 ' HG2' HG22 ' B' ' 90' ' ' VAL . 4.3 mt-30 -87.05 -18.81 29.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -129.46 -96.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 16' ' ' GLN . 8.4 m-80 -34.67 -58.34 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.45 177.84 42.87 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -121.85 139.15 53.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -129.27 95.38 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.484 ' OD1' HG22 ' A' ' 23' ' ' THR . 23.4 t-20 -40.76 106.62 0.43 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 76.32 3.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.484 HG22 ' OD1' ' A' ' 21' ' ' ASN . 2.5 t -170.49 -40.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 8.9 t80 -42.14 -47.04 4.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 119.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -171.79 101.71 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -107.31 163.24 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 157.01 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -175.71 126.71 0.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 8.2 ttp -76.57 159.14 30.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.6 147.28 51.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -162.21 158.81 25.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 10.9 p -145.91 108.5 4.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.26 163.13 32.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.536 1.148 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p -172.66 126.55 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 0.765 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.33 89.9 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 110.068 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.66 84.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 163.3 35.55 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.6 p -72.37 157.4 89.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 82.36 2.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -150.44 81.04 1.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.2 m -55.26 152.59 8.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.28 170.39 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' B' ' 14' ' ' LEU . 4.0 mm? -95.43 116.03 28.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.691 ' HB ' ' HB2' ' B' ' 61' ' ' ALA . 2.8 p -125.36 152.53 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' B' ' 17' ' ' LYS . 13.7 mt-30 -83.64 -56.49 3.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' B' ' 16' ' ' GLN . 56.1 mttt 69.2 145.67 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.592 ' CE2' ' CB ' ' B' ' 125' ' ' ALA . 96.7 m-85 -157.24 103.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -71.84 98.75 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.402 HG23 ' N ' ' B' ' 21' ' ' GLN . 3.2 m -123.65 -165.36 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.7 tt0 -105.02 171.08 7.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.72 110.01 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.674 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -70.72 -33.62 71.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.67 -176.0 16.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.122 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.481 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.6 ttp -100.49 128.59 46.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.008 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.64 134.69 22.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 1.008 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.1 Cg_endo -75.08 142.53 27.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' B' ' 108' ' ' PHE . 17.1 m -131.61 -168.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.43 -56.47 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 53.8 mmt-85 -89.21 150.49 45.06 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.477 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.4 Cg_endo -75.04 -19.22 17.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 15.5 m -141.74 143.25 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.11 137.18 2.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -38.22 45.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -68.89 -36.59 78.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -64.09 -40.26 95.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -62.02 -70.23 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.8 m-80 -40.98 -50.98 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.414 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.3 OUTLIER -38.07 -48.12 1.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.9 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.483 HD13 ' N ' ' B' ' 91' ' ' GLY . 9.8 mt -42.38 -47.28 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.402 ' O ' HG22 ' B' ' 46' ' ' THR . 12.5 mt-10 -62.02 -44.75 96.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.653 ' ND2' HD11 ' B' ' 26' ' ' LEU . 1.7 t-20 -57.68 -69.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' B' ' 23' ' ' LEU . 16.8 mt -46.25 -52.49 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.405 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.02 -66.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.45 HG23 ' N ' ' B' ' 47' ' ' SER . 5.2 t -69.79 -50.69 40.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' HG23 ' B' ' 46' ' ' THR . 0.4 OUTLIER -38.79 -89.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.978 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -78.96 -175.59 4.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.474 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 68.1 m -105.37 -176.93 3.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.001 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.6 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -82.07 -34.28 29.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.63 -29.0 56.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -60.92 -42.26 97.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.6 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -50.8 110.3 1.69 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 151.82 40.12 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.06 130.96 38.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -133.92 -177.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 85.9 m-20 -131.27 112.66 12.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.608 ' HG2' HG23 ' B' ' 60' ' ' VAL . 26.9 ttm -84.11 99.76 10.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' B' ' 65' ' ' VAL . 5.5 m-80 -78.35 117.48 19.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.608 HG23 ' HG2' ' B' ' 58' ' ' MET . 84.0 t -130.16 102.69 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.691 ' HB2' ' HB ' ' B' ' 15' ' ' VAL . . . -118.38 -139.21 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -32.65 -85.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.83 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -146.53 59.67 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.411 HG23 ' HD3' ' B' ' 81' ' ' ARG . 97.0 m -151.72 123.41 7.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.423 HG22 HG22 ' B' ' 60' ' ' VAL . 66.3 t -108.43 97.45 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.624 ' CG2' HG13 ' B' ' 76' ' ' VAL . 92.1 m -110.88 141.55 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.348 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' B' ' 77' ' ' LEU . 94.0 t -105.65 98.67 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.814 HG21 ' O ' ' B' ' 73' ' ' GLU . 35.1 mt -93.26 145.44 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.571 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.7 OUTLIER -57.68 140.11 52.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.15 . . . . 0.0 110.035 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.401 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -60.66 -62.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -61.0 2.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -178.95 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.814 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.5 OUTLIER -136.29 -44.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -92.57 22.2 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.236 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -114.25 97.77 6.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.624 HG13 ' CG2' ' B' ' 66' ' ' THR . 81.2 t -75.02 153.79 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' B' ' 69' ' ' SER . 23.8 mt -122.39 -52.66 1.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.5 t -135.99 136.4 49.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.421 ' HG3' HG23 ' B' ' 66' ' ' THR . 1.4 tt0 -117.25 94.8 4.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.698 ' SG ' HD12 ' B' ' 85' ' ' LEU . 12.0 t -97.52 98.15 9.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' B' ' 82' ' ' VAL . 10.4 mmt180 -87.17 122.22 30.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.83 HG21 ' HB1' ' B' ' 63' ' ' ALA . 21.7 m -38.54 -51.08 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.452 ' N ' HG23 ' B' ' 82' ' ' VAL . 3.5 mtp180 -47.8 -51.57 22.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.519 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 8.2 m-85 -70.45 -41.56 72.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.698 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -45.07 142.11 2.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.409 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 4.3 p -117.49 -54.85 2.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.986 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.649 ' HB3' HD12 ' B' ' 100' ' ' ILE . 13.3 t80 -133.78 152.36 51.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.893 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -158.36 133.89 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -172.46 -151.61 8.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.469 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.9 m -130.52 165.75 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.777 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.483 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -87.26 -106.45 0.87 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -99.11 -31.66 11.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.47 135.53 54.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.41 ' C ' ' N ' ' B' ' 96' ' ' THR . 20.8 m -62.59 -38.48 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' B' ' 94' ' ' VAL . 5.3 m80 -39.58 -32.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.559 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.41 ' N ' ' C ' ' B' ' 94' ' ' VAL . 40.5 p -92.22 155.33 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.652 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 25.6 t80 -154.62 116.63 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.756 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -121.0 163.16 18.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.58 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.6 p90 -156.41 143.65 19.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.63 125.87 47.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.404 ' SD ' ' CD2' ' B' ' 111' ' ' HIS . 28.7 ptm -123.92 147.65 47.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -92.75 102.4 14.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.5 60.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.399 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.35 -172.34 29.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.7 89.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.594 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 36.4 mt-30 69.51 6.13 5.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.482 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.3 OUTLIER -63.08 152.22 37.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 13.0 m-85 -140.16 133.39 29.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -129.09 132.44 47.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.47 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 42.6 t -104.27 105.14 15.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.575 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 95.6 m-70 -99.45 107.74 20.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.574 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.756 HG22 ' HB2' ' B' ' 98' ' ' ALA . 30.7 t -90.09 160.62 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 42.9 m-85 -151.36 164.34 36.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.3 t-105 -119.74 109.63 15.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 108.02 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.72 161.83 14.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.9 mt-10 -142.77 136.16 14.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.0 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.973 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' B' ' 118' ' ' ASN . 8.0 p-10 -110.1 167.15 10.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.52 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -93.18 45.99 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.829 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -86.01 -31.75 21.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -84.28 -41.37 16.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.867 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.2 t -64.98 -64.29 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.431 ' N ' HG12 ' B' ' 122' ' ' VAL . 9.8 p -49.41 -31.86 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.011 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -74.89 -52.71 10.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.592 ' CB ' ' CE2' ' B' ' 18' ' ' PHE . . . -56.03 -18.73 10.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.893 HG12 ' HE1' ' B' ' 88' ' ' MET . 18.9 t -93.73 -37.84 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -61.84 -32.32 72.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -74.84 -41.37 60.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -52.78 -59.05 4.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.441 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 97.5 m -57.85 -43.83 86.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 25.7 t -54.1 -72.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.955 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.54 169.39 45.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 156.5 43.33 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.437 1.757 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.75 95.1 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 87.9 p 54.54 100.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.961 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.22 139.43 39.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 64.39 76.24 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -107.66 153.93 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 8' ' ' GLU . 2.6 t -76.42 147.64 79.28 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.423 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.04 56.94 4.43 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.531 1.806 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.629 ' CD ' ' HB1' ' B' ' 120' ' ' ALA . 9.3 tp10 -162.33 -50.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.527 ' H ' HG23 ' A' ' 5' ' ' THR . 13.9 tp10 -50.92 -29.35 11.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -65.18 -47.63 76.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -59.32 -35.59 74.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.101 HD11 ' HB2' ' B' ' 120' ' ' ALA . 38.0 mt -78.81 -43.12 26.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 2.7 m -62.31 -13.56 29.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 17' ' ' ASN . 1.5 ttpt -87.02 -70.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.437 ' HA ' ' CA ' ' A' ' 18' ' ' GLY . 10.7 mtt -47.68 -24.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -51.41 -57.32 9.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -115.36 -39.83 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.292 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' LYS . 25.4 m-80 -69.86 -20.57 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 44.52 -167.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 93.0 t80 -144.1 139.58 28.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.44 115.0 23.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.508 ' CG ' HG22 ' A' ' 23' ' ' THR . 6.5 t-20 -57.64 122.23 54.69 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -38.02 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.786 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.508 HG22 ' CG ' ' A' ' 21' ' ' ASN . 5.8 t -47.71 -44.56 27.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.16 -168.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.25 39.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 57.49 167.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' CD1' ' C ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER -50.26 178.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -89.67 164.95 14.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.249 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -162.56 88.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.47 85.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.45 118.99 12.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 37.7 p30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.32 124.82 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.72 161.19 2.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.31 143.53 4.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.985 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.23 138.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.66 169.52 2.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.11 165.93 30.79 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.92 5.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 8.8 t -114.31 145.82 34.52 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.4 Cg_endo -74.95 -169.84 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.43 172.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -144.95 131.47 19.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.382 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -123.31 177.93 5.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.63 128.42 34.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 71.8 t -121.36 139.77 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -47.48 79.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.571 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 47.9 mttt 64.27 149.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.641 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 56.1 m-85 -159.68 104.07 1.57 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.21 118.56 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.454 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.5 m -146.83 -166.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.454 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.2 tt0 -108.53 170.9 7.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . 0.4 ' O ' ' HD2' ' B' ' 54' ' ' PRO . 1.0 OUTLIER -122.32 113.76 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.995 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -77.71 -46.76 20.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.29 177.62 15.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ttp -96.93 128.91 44.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 111.042 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.009 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -114.52 134.48 22.33 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 1.009 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 142.29 27.7 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.454 HG11 ' HB2' ' B' ' 110' ' ' CYS . 18.7 m -137.28 -168.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.22 -58.03 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 -82.54 150.83 64.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -28.12 9.55 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.34 151.45 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 128.83 1.73 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.13 70.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 0.751 . . . . 0.0 111.05 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.63 -21.53 66.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -84.77 -26.93 27.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -77.56 -66.73 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' B' ' 39' ' ' SER . 3.9 m-80 -40.71 -51.12 3.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.1 OUTLIER -38.77 -42.94 0.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.162 . . . . 0.0 110.063 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -65.13 -67.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.491 HD13 ' N ' ' B' ' 91' ' ' GLY . 4.1 mt -41.18 -51.63 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.61 -40.88 80.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.48 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.6 OUTLIER -61.45 -69.99 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' B' ' 23' ' ' LEU . 26.8 mt -47.79 -48.86 30.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -38.01 -67.15 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.454 HG23 ' N ' ' B' ' 47' ' ' SER . 4.6 t -68.72 -51.16 44.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.454 ' N ' HG23 ' B' ' 46' ' ' THR . 0.5 OUTLIER -36.94 -85.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.969 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 m -80.78 177.9 8.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.502 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 46.9 m -100.29 177.49 5.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -79.64 -36.59 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -77.4 -21.11 53.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -72.68 -40.77 66.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 17.5 m0 -50.62 106.96 0.71 Allowed Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . 0.4 ' HD2' ' O ' ' B' ' 22' ' ' TYR . 18.4 Cg_endo -74.96 147.19 33.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.2 147.49 40.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 32.6 m -146.73 177.69 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -121.37 107.22 12.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.52 ' SD ' HG13 ' B' ' 65' ' ' VAL . 20.7 tpp -82.49 106.42 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -84.25 117.4 23.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.605 HG11 ' O ' ' B' ' 125' ' ' ALA . 39.2 t -117.46 97.75 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -93.78 -168.79 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.4 OUTLIER -39.05 -58.63 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.04 65.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 21.4 m -160.08 137.44 9.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.744 HG21 HG13 ' B' ' 126' ' ' VAL . 40.1 t -125.98 96.39 3.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.642 HG23 ' HG3' ' B' ' 79' ' ' GLU . 26.5 m -111.05 147.25 35.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.519 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 77.7 t -116.74 99.0 7.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 17.8 mt -94.19 147.54 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.693 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.5 OUTLIER -56.91 130.32 45.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.41 -53.56 6.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 mttt -65.06 -89.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -55.41 122.39 11.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -4.2 58.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -118.3 29.76 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -126.56 89.87 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.427 HG23 ' CG2' ' B' ' 66' ' ' THR . 12.5 p -64.98 147.38 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.693 HD11 ' HA ' ' B' ' 69' ' ' SER . 14.5 mt -120.3 -52.9 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.9 t -138.35 139.91 40.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.642 ' HG3' HG23 ' B' ' 66' ' ' THR . 5.1 tt0 -125.87 95.68 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.626 ' SG ' HD12 ' B' ' 85' ' ' LEU . 22.7 t -95.28 88.93 5.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 108.321 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.511 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 1.4 mpt_? -63.73 112.26 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -40.71 -44.81 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -57.57 -44.84 85.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.511 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 14.0 m-30 -75.9 -30.99 58.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.626 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.7 OUTLIER -49.29 131.19 20.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.86 -60.86 1.45 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.167 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' B' ' 88' ' ' MET . 12.2 t80 -138.68 163.8 31.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.643 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.5 OUTLIER -169.91 131.67 1.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.67 -151.08 5.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.515 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -127.56 167.17 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.26 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.515 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -87.46 -106.59 0.89 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -100.99 -31.78 10.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.773 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.04 147.02 33.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.465 ' HB ' HD22 ' A' ' 11' ' ' LEU . 11.7 m -77.07 -3.65 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.631 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 6.1 m80 -77.02 -23.32 52.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 71.0 p -96.22 156.37 16.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' B' ' 126' ' ' VAL . 25.0 t80 -155.87 112.65 3.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' B' ' 111' ' ' HIS . . . -110.69 169.83 8.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' B' ' 99' ' ' PHE . 5.3 p90 -163.41 141.5 7.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mt -94.62 129.53 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.6 ptm -125.49 148.43 48.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -100.9 103.12 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.88 64.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.12 -161.42 29.36 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -50.59 -82.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.598 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 2.5 mp0 -122.68 0.85 9.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.1 OUTLIER -57.4 153.95 11.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 15.3 m-85 -140.97 141.21 34.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -124.31 133.33 53.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.454 ' HB2' HG11 ' B' ' 28' ' ' VAL . 53.6 t -107.76 110.99 22.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 108.319 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.455 ' O ' ' HB1' ' B' ' 98' ' ' ALA . 97.4 m-70 -100.64 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 109.595 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.635 HG12 HD13 ' B' ' 23' ' ' LEU . 5.1 t -143.77 152.97 15.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.579 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 25.6 m-85 -148.82 156.47 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -106.73 116.35 31.78 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.44 151.23 22.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 0.7 OUTLIER -135.51 128.68 18.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.631 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -59.76 0.11 OUTLIER 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 0.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -101.3 177.16 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.49 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -102.65 43.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 1.101 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -86.03 -31.66 21.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -89.7 -17.53 28.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.693 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.2 t -87.18 -71.22 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.557 ' N ' HG12 ' B' ' 122' ' ' VAL . 18.6 p -45.26 -32.56 2.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' B' ' 127' ' ' GLN . 27.2 tp10 -68.58 -60.3 2.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.641 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -48.75 -24.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.744 HG13 HG21 ' B' ' 65' ' ' VAL . 4.4 t -93.22 -31.0 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' B' ' 124' ' ' GLU . 5.9 tt0 -74.84 -26.98 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.258 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.446 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -88.28 -16.64 32.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.39 -45.64 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.414 ' HA ' HG22 ' B' ' 82' ' ' VAL . 3.5 m -46.02 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 108.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 58.6 m -165.58 -57.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.36 168.73 44.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.85 8.05 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.767 . . . . 0.0 110.981 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.39 104.54 16.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.012 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.55 165.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.96 153.07 22.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 46.34 84.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.628 HG13 ' N ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -156.98 -171.84 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.628 ' N ' HG13 ' A' ' 4' ' ' VAL . 1.3 m -71.51 141.8 85.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.567 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.3 Cg_endo -74.96 -27.09 10.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.452 1.764 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.683 ' HG3' ' HB1' ' B' ' 120' ' ' ALA . 0.4 OUTLIER -76.87 -29.15 55.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -81.02 -59.21 2.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -50.13 -32.03 14.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -64.11 -35.57 81.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.992 HD11 ' HB2' ' B' ' 120' ' ' ALA . 66.9 mt -81.3 -44.73 17.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.26 -34.18 9.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -68.05 -35.65 78.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.1 mtt -84.11 -11.64 56.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -78.61 -35.99 44.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.6 OUTLIER -115.04 -84.58 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 12.2 m-80 -39.95 -54.13 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.46 -144.25 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -165.02 136.09 4.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -126.8 97.82 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.483 ' CG ' HG22 ' A' ' 23' ' ' THR . 48.7 t30 -41.63 108.48 0.59 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 75.32 3.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.483 HG22 ' CG ' ' A' ' 21' ' ' ASN . 3.8 t -172.97 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.439 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 10.7 t80 -36.99 -53.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.6 96.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -157.21 146.2 19.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 54.6 98.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -113.18 -62.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 69.95 96.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.28 134.94 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -72.66 -60.11 2.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -169.4 86.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 0.733 . . . . 0.0 110.004 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -139.37 147.82 42.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.958 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.83 87.34 0.66 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -133.48 130.51 38.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -143.66 116.71 8.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 145.89 14.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.04 40.53 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.51 1.795 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.9 128.95 39.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.387 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.79 38.13 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.505 1.792 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -86.05 173.99 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 12.0 m -68.66 146.45 52.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -145.56 158.16 43.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' B' ' 14' ' ' LEU . 3.9 mm? -64.95 120.8 13.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 73.9 t -116.33 150.23 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -57.58 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' B' ' 18' ' ' PHE . 41.5 mttt 69.18 148.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.42 ' O ' HG13 ' B' ' 20' ' ' VAL . 59.6 m-85 -161.91 104.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -70.63 110.3 5.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.487 HG11 ' SG ' ' B' ' 115' ' ' CYS . 2.5 m -136.25 -165.56 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.472 ' N ' HG23 ' B' ' 20' ' ' VAL . 2.0 tt0 -109.08 171.26 7.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -127.41 106.84 9.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.744 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -65.64 -39.48 91.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.43 -178.54 17.96 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.404 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -99.96 128.24 46.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.95 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.63 134.04 23.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.95 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.3 Cg_endo -75.03 148.25 34.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.523 1.802 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.79 -167.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.5 -60.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 69.2 mmt-85 -86.39 152.45 55.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -24.14 13.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.7 158.73 43.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.34 136.06 3.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.55 -49.99 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 111.023 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.25 -39.24 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.8 m -62.17 -33.42 74.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 tp -72.75 -65.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -40.65 -53.32 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.64 -48.63 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -61.32 -67.47 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' B' ' 45' ' ' MET . 13.6 mt -43.76 -46.05 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.441 ' O ' HG22 ' B' ' 46' ' ' THR . 4.1 mt-10 -63.81 -37.19 86.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' B' ' 47' ' ' SER . 0.6 OUTLIER -67.44 -64.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.48 HD12 ' CG2' ' B' ' 112' ' ' VAL . 34.6 mt -50.5 -36.11 32.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.49 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.2 mmt -53.74 -42.24 67.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.441 HG22 ' O ' ' B' ' 42' ' ' GLU . 1.9 t -100.48 -8.94 22.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.45 ' N ' ' O ' ' B' ' 43' ' ' ASN . 1.1 t -74.12 -52.77 11.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.9 m -126.09 171.17 11.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.496 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 38.9 m -87.21 -172.96 4.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.963 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.4 OUTLIER -83.46 -37.06 23.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.59 1.181 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.9 -29.57 62.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -60.61 -41.27 94.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 13.2 m0 -53.71 109.03 1.29 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 108.028 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 151.53 39.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -75.37 131.18 40.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.87 171.74 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -119.17 108.63 14.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.415 ' SD ' HG13 ' B' ' 65' ' ' VAL . 18.0 tpp -82.31 99.18 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -78.67 133.16 37.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.545 HG11 ' O ' ' B' ' 125' ' ' ALA . 20.0 t -136.87 107.18 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.57 -150.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -43.33 -67.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.954 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.52 66.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 51.3 m -158.94 133.7 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.82 HG21 HG13 ' B' ' 126' ' ' VAL . 78.1 t -120.96 99.15 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.57 HG23 ' HG3' ' B' ' 79' ' ' GLU . 40.1 m -115.08 134.46 55.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.658 HG21 ' CE2' ' B' ' 113' ' ' PHE . 44.6 t -105.13 102.88 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 15.6 mt -96.27 149.79 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.555 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.9 OUTLIER -58.25 122.29 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.89 -59.63 1.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.26 -91.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -60.8 119.05 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.92 -7.94 58.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -106.4 26.94 9.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -133.89 100.32 4.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 78.8 t -74.11 152.82 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' B' ' 69' ' ' SER . 42.2 mt -118.94 -51.97 2.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.79 137.47 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.57 ' HG3' HG23 ' B' ' 66' ' ' THR . 6.0 tt0 -120.97 94.57 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.1 t -99.37 88.54 3.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' B' ' 84' ' ' PHE . 7.8 mmt85 -69.66 114.09 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.954 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.26 -39.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.597 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 9.3 m-85 -71.78 -38.68 70.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -39.45 143.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.267 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.537 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 3.1 p -119.21 -51.98 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 0.0 109.963 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -137.31 157.01 47.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.536 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.26 141.27 3.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.86 -149.17 7.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.549 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.9 m -127.82 171.33 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.549 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -101.03 -107.5 3.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -99.04 -29.55 12.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 0.768 . . . . 0.0 109.333 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.407 ' O ' ' OG1' ' B' ' 96' ' ' THR . 0.4 OUTLIER -119.98 111.21 17.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' B' ' 95' ' ' HIS . 9.7 m -40.39 -42.23 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' B' ' 94' ' ' VAL . 2.0 m80 -38.7 -35.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.626 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.0 p -91.05 130.53 36.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.49 ' HB2' ' CB ' ' B' ' 119' ' ' ALA . 40.7 t80 -129.85 113.06 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.701 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -109.05 165.9 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.615 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.0 p90 -164.87 142.62 6.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -94.55 129.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' B' ' 79' ' ' GLU . 26.5 ptm -119.98 147.71 44.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -90.77 114.47 26.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 36.5 p -91.77 60.52 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 79.37 -97.19 1.55 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -55.61 -168.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.605 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 13.3 mt-30 -66.08 -14.01 61.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.43 138.14 28.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.605 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 16.3 m-85 -134.8 134.9 41.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.96 156.17 38.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 35.3 t -114.73 152.06 32.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 108.339 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.584 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.8 m-70 -140.47 109.83 6.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.744 HG12 HD13 ' B' ' 23' ' ' LEU . 37.0 t -93.8 162.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' B' ' 67' ' ' VAL . 33.8 m-85 -151.92 174.11 14.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.518 ' CZ2' ' NZ ' ' B' ' 50' ' ' LYS . 26.6 t-105 -132.89 94.16 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.52 ' SG ' HG11 ' B' ' 122' ' ' VAL . 14.7 m -94.79 161.2 14.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 10.8 mt-10 -137.21 134.05 18.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.05 -54.91 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.999 0.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -112.92 169.21 9.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.706 ' HB1' HG22 ' B' ' 122' ' ' VAL . . . -91.32 27.38 1.94 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.992 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -69.42 -33.22 72.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -79.18 -38.55 35.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.966 ' O ' HG23 ' B' ' 126' ' ' VAL . 0.9 OUTLIER -74.93 -51.08 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.534 ' N ' ' CG2' ' B' ' 122' ' ' VAL . 98.3 p -56.47 -39.48 73.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -70.7 -36.3 73.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.545 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -71.95 -22.93 61.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.966 HG23 ' O ' ' B' ' 122' ' ' VAL . 19.9 t -93.28 -45.37 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.421 ' HB2' ' HE3' ' A' ' 14' ' ' MET . 32.7 tt0 -62.72 -41.52 99.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.89 -23.11 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' B' ' 125' ' ' ALA . . . -68.25 -41.67 80.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.824 ' SG ' HG22 ' B' ' 82' ' ' VAL . 12.8 m -56.17 -39.98 73.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 29.4 t -168.28 -69.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 86.28 168.6 44.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.462 1.77 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.29 128.85 14.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 96.7 p -161.4 132.43 5.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.02 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.5 121.9 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.34 156.09 16.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -100.55 -174.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.528 HG22 ' HD2' ' A' ' 6' ' ' PRO . 7.2 m -80.53 143.24 54.84 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.528 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.4 Cg_endo -75.0 -46.69 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.794 ' OE1' ' HB1' ' B' ' 120' ' ' ALA . 6.6 tp10 -52.36 -22.07 4.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -90.97 -45.5 8.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -38.73 75.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -65.68 -30.35 71.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.599 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.819 HD11 ' HB2' ' B' ' 120' ' ' ALA . 81.0 mt -84.76 -56.22 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.43 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 19.6 m -43.37 -33.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -45.85 86.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.1 mtt -72.42 -28.9 63.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -53.3 -32.77 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -127.29 -82.18 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.54 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 2.7 m-80 -34.51 -44.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.2 -170.95 46.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.518 ' CE1' ' HE2' ' B' ' 88' ' ' MET . 53.4 t80 -137.69 129.3 28.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 0.782 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' OE2' HG11 ' B' ' 32' ' ' VAL . 0.2 OUTLIER -120.82 103.33 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 18.5 t-20 -47.5 108.52 0.9 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 73.56 4.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.5 t -162.22 -43.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.423 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -39.93 113.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.92 107.31 9.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.2 -48.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -87.35 -173.85 4.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -166.21 76.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -132.47 159.4 39.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.8 mtm -113.1 130.24 56.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 111.03 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -29.53 63.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m 61.51 126.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.92 158.27 4.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.0 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.73 154.41 9.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.79 152.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 109.99 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.65 163.94 10.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.71 114.22 0.32 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.96 32.28 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.49 1.784 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -121.17 154.2 58.38 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -175.39 2.33 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 136.22 50.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 75.3 p -118.22 148.63 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -123.16 118.8 28.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 70.55 133.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' B' ' 61' ' ' ALA . 22.1 t -139.71 156.81 26.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.06 -39.09 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.502 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.1 OUTLIER 63.42 151.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 24.3 m-85 -159.17 94.26 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -71.11 100.03 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.87 -165.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' B' ' 53' ' ' TRP . 1.1 tt0 -104.3 170.74 7.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -127.18 106.09 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.646 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -68.12 -35.04 77.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 126.91 -170.71 18.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.506 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 4.0 ttp -107.2 130.67 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 110.978 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.999 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -119.69 134.24 23.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.999 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.99 146.1 32.28 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.437 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 16.4 m -137.81 165.75 25.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.47 -51.65 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.0 mmt-85 -99.31 153.95 37.53 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.59 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.2 Cg_endo -75.0 -25.02 12.25 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.469 HG11 ' OE2' ' A' ' 20' ' ' GLU . 23.4 m -130.72 164.4 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.52 125.8 2.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -30.48 68.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 0.768 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -69.83 -32.22 70.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.437 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 98.3 m -76.35 -51.7 11.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.417 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 tp -50.4 -67.81 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -42.2 -50.04 4.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.11 -50.04 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -59.25 -68.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.529 HD13 ' N ' ' B' ' 91' ' ' GLY . 20.9 mt -39.85 -49.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.439 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.4 OUTLIER -57.75 -70.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.7 mt -45.53 -51.82 11.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.411 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.1 mmt -36.91 -61.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.405 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.0 t -75.88 -40.66 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.375 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.405 ' C ' ' O ' ' B' ' 46' ' ' THR . 1.9 t -39.02 -70.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 58.2 m -106.04 -176.38 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.964 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.508 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 50.3 m -95.33 -174.18 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.59 -36.22 20.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.93 -19.82 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -37.34 77.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.59 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 8.6 m0 -57.05 110.49 2.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.003 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.3 37.46 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -85.35 133.11 34.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.35 168.55 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -118.1 107.31 13.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.3 ttm -83.76 103.7 13.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -79.33 128.87 33.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.521 HG11 ' HB1' ' B' ' 125' ' ' ALA . 26.2 t -131.89 106.67 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -105.86 -154.56 0.52 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.44 -59.29 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.897 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -152.53 67.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 19.9 m -158.01 136.91 11.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.703 HG21 HG13 ' B' ' 126' ' ' VAL . 53.1 t -125.71 96.38 3.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.557 HG23 ' HG3' ' B' ' 79' ' ' GLU . 21.6 m -111.17 145.34 38.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.454 HG12 HD12 ' B' ' 77' ' ' LEU . 83.1 t -110.77 99.84 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.746 HG23 ' O ' ' B' ' 75' ' ' GLU . 46.7 mt -95.94 144.57 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.746 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -56.22 127.09 29.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.995 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -61.97 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -55.92 118.76 4.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.419 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.8 OUTLIER -84.98 -9.47 58.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.84 25.34 11.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.746 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.7 OUTLIER -122.81 108.17 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.473 ' O ' HD23 ' B' ' 77' ' ' LEU . 90.4 t -79.49 149.53 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.746 HD11 ' HA ' ' B' ' 69' ' ' SER . 17.4 mt -123.2 -49.33 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -141.0 142.32 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.557 ' HG3' HG23 ' B' ' 66' ' ' THR . 2.7 tt0 -124.06 97.14 5.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.7 ' SG ' HD12 ' B' ' 85' ' ' LEU . 10.5 t -96.83 99.06 10.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.557 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 0.8 OUTLIER -81.86 114.05 20.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.897 HG21 ' HB1' ' B' ' 63' ' ' ALA . 35.8 m -40.31 -33.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -50.47 68.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' B' ' 81' ' ' ARG . 20.2 m-85 -77.91 -19.13 55.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.7 HD12 ' SG ' ' B' ' 80' ' ' CYS . 1.4 tt -63.58 136.71 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 5.1 p -111.4 -65.17 1.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.511 ' HB3' HD12 ' B' ' 100' ' ' ILE . 7.5 t80 -120.14 154.62 34.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.524 ' HB3' HD21 ' B' ' 85' ' ' LEU . 0.0 OUTLIER -168.54 119.15 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.91 -138.1 2.34 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.543 HG23 ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -136.95 167.77 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.543 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -91.62 -99.84 1.29 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.5 mmtt -104.71 -32.97 8.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.523 ' OD1' ' CE1' ' B' ' 95' ' ' HIS . 0.3 OUTLIER -107.03 140.17 40.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.5 m -73.36 -24.91 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.523 ' CE1' ' OD1' ' B' ' 93' ' ' ASP . 2.9 m80 -60.29 -15.59 26.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 18.6 p -103.03 157.15 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.68 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 38.7 t80 -158.38 118.14 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.736 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -122.5 163.82 19.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 6.1 p90 -157.3 141.48 16.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.59 HG21 ' HA ' ' B' ' 31' ' ' PRO . 4.6 mt -95.06 124.76 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -120.54 142.93 48.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -97.38 102.48 14.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -111.96 59.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 157.74 -167.73 34.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -46.75 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.574 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 41.2 mt-30 -138.02 12.58 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -60.36 146.68 43.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.574 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 13.1 m-85 -136.11 123.92 22.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -121.28 132.45 54.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 51.4 t -105.65 117.0 32.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.326 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 91.5 m-70 -110.24 112.8 24.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.62 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.736 HG22 ' HB2' ' B' ' 98' ' ' ALA . 33.0 t -92.65 164.8 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 59.1 m-85 -155.89 155.57 33.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -111.99 107.59 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.537 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.5 m -103.84 151.96 22.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 108.306 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 53.2 mt-10 -134.14 134.38 22.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.029 -0.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.455 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.4 p30 -107.31 169.59 8.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -95.94 41.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.819 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -75.04 -42.91 56.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -74.27 -49.59 22.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.792 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -53.64 -66.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.427 ' N ' HG12 ' B' ' 122' ' ' VAL . 58.8 p -44.04 -52.9 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.64 -54.11 50.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.533 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -47.74 -29.62 3.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.792 HG23 ' O ' ' B' ' 122' ' ' VAL . 6.1 t -90.01 -37.77 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.446 ' NE2' ' OG ' ' B' ' 134' ' ' SER . 4.2 tt0 -57.84 -38.07 74.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.99 -22.27 49.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.526 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -74.02 -25.75 60.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . . . . . . . . . 56.3 m -81.47 -3.95 54.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 108.275 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.95 93.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 141.08 163.01 9.35 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.09 2.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . 0.446 ' OG ' ' NE2' ' B' ' 127' ' ' GLN . 0.6 OUTLIER -74.3 87.75 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.42 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.02 48.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.29 108.7 20.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.3 t -67.63 152.01 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 8' ' ' GLU . 4.3 t -101.6 146.63 32.57 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 56.81 4.37 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.541 1.811 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.594 ' CD ' ' HB1' ' B' ' 120' ' ' ALA . 8.8 tp10 -158.21 -54.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' H ' HG23 ' A' ' 5' ' ' THR . 1.2 tm-20 -51.45 -26.52 8.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -67.73 -42.0 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.442 ' CE1' ' OE1' ' B' ' 127' ' ' GLN . 5.8 t60 -68.19 -38.89 82.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.088 . . . . 0.0 109.604 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.962 HD11 ' HB2' ' B' ' 120' ' ' ALA . 83.2 mt -73.67 -67.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.448 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 46.4 t -38.19 -35.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -71.28 -55.17 8.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -52.62 -21.07 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG2' HG22 ' B' ' 90' ' ' VAL . 6.0 mt-30 -69.93 -42.82 72.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.7 OUTLIER -103.86 -84.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.488 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 4.9 m-80 -39.27 -53.91 1.88 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.7 -162.63 49.13 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.456 1.097 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.599 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 65.3 t80 -139.26 130.75 27.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.53 119.12 32.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 2.0 t-20 -80.02 117.91 69.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -39.5 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.2 t -40.16 -39.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' B' ' 86' ' ' SER . 7.6 t80 -49.58 159.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.72 159.16 26.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -178.74 39.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -71.65 96.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -130.37 171.62 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -163.73 75.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.272 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.3 -56.33 5.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 64.1 -179.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.31 164.95 5.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 0.731 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.86 164.46 31.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.99 -156.49 7.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.461 1.1 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -179.88 134.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -138.22 165.39 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.93 98.5 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 172.26 16.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 54.1 p -138.77 156.98 72.61 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.445 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.53 16.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.519 ' O ' HG22 ' B' ' 12' ' ' THR . 4.3 mttm -128.69 144.41 51.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.519 HG22 ' O ' ' B' ' 11' ' ' LYS . 9.3 t 44.54 -167.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' OG1' ' B' ' 12' ' ' THR . 4.5 tt0 -118.53 139.48 51.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 14' ' ' LEU . 0.3 OUTLIER 63.08 119.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -120.16 150.21 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -60.28 -50.38 73.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.598 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 56.3 mttt 59.39 154.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' B' ' 17' ' ' LYS . 73.4 m-85 -161.96 103.62 1.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 110.81 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.419 HG13 ' O ' ' B' ' 18' ' ' PHE . 2.6 m -140.1 -167.51 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.437 ' CB ' ' HB3' ' B' ' 114' ' ' TRP . 1.1 tt0 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -123.81 118.44 27.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.7 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -79.21 -32.91 44.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.85 -169.56 15.23 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.457 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -106.13 125.27 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.934 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.12 133.76 22.87 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.934 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.06 158.3 42.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -144.75 -177.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.17 -45.09 2.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -104.77 154.36 38.62 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -33.26 4.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.698 HG12 ' HB2' ' B' ' 87' ' ' PHE . 34.6 m -124.64 165.24 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.31 125.65 2.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -70.68 -22.22 62.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -36.18 50.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 89.6 m -69.53 -51.8 32.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.544 HD21 ' C ' ' B' ' 89' ' ' GLY . 2.8 tp -50.76 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -47.71 -48.35 29.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.18 -50.94 2.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.28 -66.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.508 ' O ' ' CG ' ' B' ' 45' ' ' MET . 25.1 mt -40.41 -50.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.242 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.7 -43.31 96.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.55 ' CG ' HD11 ' B' ' 26' ' ' LEU . 0.2 OUTLIER -59.46 -70.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.626 ' HG ' HD23 ' B' ' 26' ' ' LEU . 22.2 mt -46.33 -50.12 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.5 mmt -36.57 -57.23 0.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.9 t -81.24 -36.83 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -40.73 -67.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.99 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 20.0 m -109.87 -177.09 3.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.427 ' O ' ' CD1' ' B' ' 53' ' ' TRP . 74.8 m -95.29 -178.49 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.97 -38.94 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -71.37 -31.93 67.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -61.51 -43.29 99.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.605 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 26.3 m0 -48.37 105.83 0.54 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 107.995 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 149.01 36.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.544 1.813 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.27 145.42 35.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.79 -176.25 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -128.8 110.47 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.536 ' HG2' HG23 ' B' ' 60' ' ' VAL . 22.7 ttm -82.85 105.71 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -80.96 116.14 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.536 HG23 ' HG2' ' B' ' 58' ' ' MET . 40.6 t -120.77 98.67 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -98.73 -163.63 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 2.6 t0 -40.42 -49.07 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 1.014 ' HB1' HG21 ' B' ' 82' ' ' VAL . . . -161.64 68.44 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 20.8 m -160.31 125.85 3.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.682 HG21 HG13 ' B' ' 126' ' ' VAL . 53.5 t -116.53 95.75 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.808 HG23 ' HG3' ' B' ' 79' ' ' GLU . 20.9 m -114.38 144.73 42.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.408 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.592 HG21 ' HZ ' ' B' ' 113' ' ' PHE . 94.0 t -110.02 97.59 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.5 HG23 ' O ' ' B' ' 75' ' ' GLU . 38.6 mt -94.67 142.21 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.665 ' HA ' HD11 ' B' ' 77' ' ' LEU . 2.2 t -51.59 142.92 13.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.971 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.43 -56.98 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -59.44 -69.91 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 64.4 m-20 -81.56 121.28 26.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.464 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.0 OUTLIER -92.25 -1.45 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.77 11.3 26.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.5 ' O ' HG23 ' B' ' 68' ' ' ILE . 1.3 tt0 -118.72 107.58 13.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.625 HG13 HG22 ' B' ' 66' ' ' THR . 51.0 t -75.24 157.89 5.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.665 HD11 ' HA ' ' B' ' 69' ' ' SER . 17.9 mt -126.76 -48.28 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -143.26 145.09 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.808 ' HG3' HG23 ' B' ' 66' ' ' THR . 0.9 OUTLIER -128.71 110.02 11.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.293 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CE1' ' B' ' 99' ' ' PHE . 4.6 t -114.08 88.65 2.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 108.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.4 mpt_? -71.59 123.04 21.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 1.014 HG21 ' HB1' ' B' ' 63' ' ' ALA . 10.9 m -43.47 -27.55 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' B' ' 81' ' ' ARG . 71.8 mmt-85 -68.71 -46.6 68.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 12.1 m-85 -78.04 -39.74 40.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.569 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.11 128.23 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.551 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 5.7 p -99.02 -58.13 2.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.698 ' HB2' HG12 ' B' ' 32' ' ' VAL . 71.1 t80 -145.03 153.03 41.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.777 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.4 OUTLIER -155.3 139.63 16.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.994 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . 0.544 ' C ' HD21 ' B' ' 37' ' ' LEU . . . -166.52 -163.38 20.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.559 1.162 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.498 HG22 ' HG2' ' A' ' 15' ' ' GLN . 2.0 m -121.06 163.64 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.406 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -92.0 -131.33 5.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -77.54 -22.63 50.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.16 139.1 52.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 9.3 m -76.03 -17.0 15.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -68.05 -12.63 61.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.637 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 62.3 p -111.66 132.88 54.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.51 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 64.0 t80 -131.41 119.1 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 1.163 . . . . 0.0 110.998 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.597 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -118.03 166.81 12.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.602 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 4.5 p90 -161.44 148.06 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.407 HG22 ' OG ' ' B' ' 86' ' ' SER . 3.4 mt -100.03 138.66 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.51 ' SD ' HG23 ' B' ' 103' ' ' THR . 2.3 ppp? -131.28 159.37 38.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -107.86 106.01 16.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.51 HG23 ' SD ' ' B' ' 101' ' ' MET . 4.6 p -75.37 -66.56 0.75 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.444 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.16 -112.84 2.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' B' ' 106' ' ' GLN . 7.6 p30 -64.58 -152.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.64 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 90.1 mt-30 -52.57 -19.65 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.13 139.07 6.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.64 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 19.3 m-85 -139.02 145.25 39.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -123.23 145.11 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.8 t -116.52 118.05 31.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 108.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.56 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 89.7 m-70 -109.21 123.81 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.7 HG12 HD13 ' B' ' 23' ' ' LEU . 17.6 t -104.48 165.97 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.592 ' HZ ' HG21 ' B' ' 67' ' ' VAL . 53.2 m-85 -153.6 163.57 39.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.513 ' CZ2' ' HE3' ' B' ' 50' ' ' LYS . 45.3 t-105 -118.56 105.62 11.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 108.015 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.8 m -99.36 159.88 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.338 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.466 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 4.3 mt-10 -141.73 130.33 12.13 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.466 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -62.86 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.013 -0.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 15.2 p30 -96.94 176.16 6.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -104.84 38.07 2.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.962 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -74.09 -53.85 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -62.57 -40.17 96.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.581 HG12 ' N ' ' B' ' 123' ' ' SER . 2.1 t -66.05 -71.08 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.581 ' N ' HG12 ' B' ' 122' ' ' VAL . 72.6 m -45.93 -29.87 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 37.3 tp10 -74.56 -52.03 12.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.514 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -53.68 -24.35 14.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.777 HG12 ' HE1' ' B' ' 88' ' ' MET . 11.9 t -93.37 -39.84 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.442 ' OE1' ' CE1' ' A' ' 10' ' ' HIS . 25.2 tt0 -63.48 -32.28 73.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.7 30.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -63.81 -51.43 64.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.405 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 59.7 m -54.57 -50.36 68.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.275 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 6.3 m -171.65 -61.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.06 168.45 43.83 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -39.08 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 1.7 m 60.9 149.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 70.4 p -163.74 153.73 15.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -140.79 156.21 46.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.05 112.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.8 p -41.14 151.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.5 p -99.91 158.17 32.56 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -24.81 12.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.497 1.788 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.22 -58.32 3.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -52.98 -26.8 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -43.79 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -55.82 -21.5 19.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.607 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.046 HD11 ' HB2' ' B' ' 120' ' ' ALA . 18.1 mt -98.29 -50.34 4.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.436 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 22.8 t -41.89 -31.39 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 19.9 pttt -80.35 -49.78 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.425 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 1.6 mtt -59.53 -12.26 6.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' B' ' 90' ' ' VAL . 3.0 mt-30 -74.17 -63.15 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -106.2 -42.35 5.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' LYS . 15.6 m-80 -73.73 -8.45 56.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 13' ' ' LYS . . . 35.47 -151.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.435 ' O ' ' CD2' ' B' ' 87' ' ' PHE . 90.1 t80 -161.46 137.5 8.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.03 108.38 12.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' CG ' HG22 ' A' ' 23' ' ' THR . 35.9 t-20 -52.7 109.11 1.29 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.28 4.72 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' CG ' ' A' ' 21' ' ' ASN . 5.7 t -170.92 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.465 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 11.6 t80 -37.26 -47.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 26' ' ' PHE . 12.7 tmtt? 54.71 97.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -172.27 133.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -162.29 175.54 11.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 64.21 137.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -153.29 148.28 26.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.19 53.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.051 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 39.86 48.59 2.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -89.15 83.14 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -82.07 -59.22 2.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.027 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.29 -166.58 1.52 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -132.83 157.69 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 13.8 t -113.77 109.24 18.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.11 0.42 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.9 4.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 76.8 p -42.16 144.89 0.83 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.3 Cg_endo -75.05 60.36 5.46 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -69.2 158.2 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 67.5 m 64.37 147.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.113 . . . . 0.0 110.443 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 64.23 168.89 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.983 ' O ' HD13 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -126.13 144.89 50.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.746 ' N ' HD22 ' B' ' 14' ' ' LEU . 54.2 t -103.61 150.55 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' B' ' 17' ' ' LYS . 0.0 OUTLIER -61.41 -50.06 74.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' B' ' 16' ' ' GLN . 56.5 mttt 60.85 148.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 77.1 m-85 -157.55 104.98 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 118.58 14.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.515 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -147.76 -162.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.515 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.7 mt-30 -112.66 169.09 9.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.73 99.76 6.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.443 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -61.06 -36.46 79.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.44 -175.23 18.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 4.0 ttp -103.45 131.05 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.03 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.91 133.58 23.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 1.03 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 144.59 30.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.48 -165.15 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.51 -57.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -80.11 151.26 72.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -30.66 6.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 3.6 m -136.27 149.51 27.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.37 123.59 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.515 ' HE1' ' O ' ' B' ' 90' ' ' VAL . 0.0 OUTLIER -71.62 -23.22 61.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.79 -24.01 36.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -81.01 -46.98 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.405 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' B' ' 40' ' ' ALA . 2.6 tp -59.07 -60.58 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -46.15 -48.31 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.24 -27.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.987 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 37' ' ' LEU . . . -80.33 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.533 HD13 ' N ' ' B' ' 91' ' ' GLY . 9.4 mt -40.78 -41.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.429 ' O ' HG22 ' B' ' 46' ' ' THR . 8.2 mt-10 -69.8 -50.7 40.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.75 -60.28 3.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.594 ' HG ' HD23 ' B' ' 26' ' ' LEU . 54.0 mt -53.04 -52.79 57.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.5 mmt -39.31 -65.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.44 ' O ' ' C ' ' B' ' 47' ' ' SER . 5.1 t -67.83 -46.9 70.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.36 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' B' ' 46' ' ' THR . 40.8 t -35.89 -77.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 19.8 m -95.39 -176.79 3.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.524 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 57.2 m -96.59 -178.3 4.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.083 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -78.97 -39.09 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.91 -26.87 49.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.232 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -60.29 -31.4 70.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.607 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 9.5 m0 -63.53 112.31 6.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 108.001 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 168.03 25.75 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 4.7 p -94.42 131.38 40.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 m -130.19 -175.48 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -132.24 107.38 8.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 20.0 ttm -83.03 105.08 13.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -85.62 128.69 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.707 HG11 ' O ' ' B' ' 125' ' ' ALA . 21.9 t -132.2 101.88 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -104.83 -149.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -37.09 -84.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -135.15 65.15 1.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 95.1 m -157.65 144.06 17.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.697 HG21 HG13 ' B' ' 126' ' ' VAL . 38.4 t -128.39 100.32 5.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.51 HG23 ' HG3' ' B' ' 79' ' ' GLU . 50.8 m -113.81 129.92 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.094 . . . . 0.0 110.393 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.578 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 23.5 t -101.54 103.92 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 mt -99.49 155.54 4.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.609 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -60.44 146.02 46.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -55.32 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.286 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -61.89 -77.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.501 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 1.5 m120 -40.75 -68.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 2.5 tt0 85.96 -13.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.259 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -122.69 11.63 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -108.86 95.02 5.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.436 HG23 ' CG2' ' B' ' 66' ' ' THR . 13.1 p -54.28 138.12 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' B' ' 69' ' ' SER . 12.9 mt -117.08 -57.61 2.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.7 t -134.19 126.18 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.51 ' HG3' HG23 ' B' ' 66' ' ' THR . 9.7 tt0 -112.27 94.02 4.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.634 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.5 t -96.98 91.27 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.574 ' HB2' ' CD2' ' B' ' 84' ' ' PHE . 12.4 mmt180 -69.37 124.29 23.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.823 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -55.34 -19.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -81.4 -27.08 34.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.604 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 21.2 m-85 -98.56 -32.51 11.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.634 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -40.75 135.09 1.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.479 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 89.8 p -102.55 -66.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.043 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' B' ' 88' ' ' MET . 57.0 t80 -135.54 165.19 26.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' B' ' 130' ' ' CYS . 0.0 OUTLIER -169.7 134.83 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 111.043 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.63 -161.47 10.65 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.515 ' O ' ' HE1' ' B' ' 34' ' ' MET . 1.8 m -126.69 146.76 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.533 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -69.42 -136.87 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -81.52 -6.4 58.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.22 137.51 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.573 ' O ' ' HB3' ' B' ' 119' ' ' ALA . 17.3 m -68.89 -22.37 26.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -61.08 -21.25 63.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.608 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 68.0 p -104.07 134.46 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.441 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.584 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 48.2 t80 -134.59 115.52 13.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.476 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -112.46 171.54 7.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.575 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.1 p90 -169.79 146.2 3.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.0 mt -95.12 148.84 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 24.5 ptm -141.8 151.55 42.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -109.48 102.3 11.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 10.4 p -79.41 -32.58 42.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.437 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 174.78 149.4 7.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 54.62 -171.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.588 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 36.4 mt-30 -62.09 -11.78 15.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -56.52 139.34 49.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.588 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 17.3 m-85 -139.15 132.67 30.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.3 147.4 35.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 44.5 t -119.68 135.4 54.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 108.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' B' ' 98' ' ' ALA . 92.6 m-70 -121.5 161.45 22.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.57 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.569 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.3 t -144.71 151.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.578 ' CZ ' HG21 ' B' ' 67' ' ' VAL . 12.7 m-85 -145.41 161.96 38.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -115.07 109.62 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.049 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.44 ' SG ' HG21 ' B' ' 122' ' ' VAL . 23.1 m -95.07 162.16 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 108.255 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.427 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 48.2 mt-10 -141.12 125.11 10.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.4 Cg_endo -75.01 -63.95 0.03 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.989 0.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -93.54 171.02 9.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' B' ' 94' ' ' VAL . . . -101.23 44.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 1.046 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -81.41 -59.22 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -57.03 -30.67 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -75.1 -65.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.584 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 37.3 m -51.0 -37.2 43.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.41 -53.52 23.21 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.707 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -54.4 -20.64 7.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 122' ' ' VAL . 14.7 t -93.34 -45.33 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -40.53 97.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.95 -24.6 63.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.17 61.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' B' ' 88' ' ' MET . 53.5 m -51.86 -49.02 63.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.23 -58.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.9 168.47 43.03 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.5 3.52 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.532 1.806 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 59.7 p -104.56 153.17 21.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.53 -56.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.78 148.39 48.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.43 84.14 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.4 m -61.45 -159.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 6' ' ' PRO . 51.2 m -78.45 143.43 64.01 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.0 -46.23 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.559 1.821 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.427 ' OE2' ' HB1' ' B' ' 120' ' ' ALA . 6.7 tp10 -58.19 -43.46 87.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 11' ' ' LEU . 3.8 tp10 -63.69 -51.35 65.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 -47.55 16.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -56.07 -35.3 66.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.599 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.71 HD13 ' HB ' ' B' ' 94' ' ' VAL . 95.2 mt -80.1 -52.18 8.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -44.02 -27.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.01 -55.6 5.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.8 mtt -64.54 -13.36 52.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -79.31 -10.23 59.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -157.71 -75.53 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -41.6 -28.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 52.97 -173.4 0.35 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -136.09 139.4 42.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -121.39 118.13 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 1.7 t-20 -64.86 117.38 38.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -29.37 8.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.8 t -58.84 -43.33 90.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 9.2 t80 -47.33 -55.39 8.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 55.72 82.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -76.41 107.86 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -90.5 173.27 8.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.78 59.7 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -150.2 121.68 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.358 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.514 ' O ' ' C ' ' A' ' 31' ' ' GLN . 0.0 OUTLIER -111.49 96.48 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.514 ' C ' ' O ' ' A' ' 30' ' ' MET . 3.6 pp0? 28.96 45.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 30' ' ' MET . 47.9 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -177.54 146.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -163.97 166.63 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.975 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.21 143.48 3.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.91 115.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.33 149.66 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.973 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.95 99.47 0.27 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.74 24.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -82.7 124.55 77.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.54 24.32 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -139.19 116.98 11.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 60.7 p -132.71 159.31 40.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -130.82 116.52 18.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 69.41 130.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.655 HG22 ' HB2' ' B' ' 61' ' ' ALA . 20.4 t -141.56 157.53 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.25 -39.54 20.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' B' ' 15' ' ' VAL . 0.2 OUTLIER 63.2 151.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.64 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 31.9 m-85 -159.31 95.79 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.39 107.45 4.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.35 -167.62 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.54 168.84 9.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.69 117.12 24.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.476 ' O ' HD22 ' B' ' 44' ' ' LEU . 0.1 OUTLIER -79.91 -40.64 27.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.15 -174.27 20.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.057 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ttp -104.65 127.59 52.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 0.79 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 1.004 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.81 133.78 23.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 1.004 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -75.02 156.42 42.91 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.455 HG11 ' HB2' ' B' ' 110' ' ' CYS . 16.7 m -144.84 -163.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.78 -61.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.4 mmt85 -86.38 154.31 56.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.423 ' HA ' HG21 ' B' ' 100' ' ' ILE . 18.4 Cg_endo -74.98 -17.8 19.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 m -133.83 178.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.84 126.39 3.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -45.77 80.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 0.742 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.93 -44.71 96.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 15.6 m -55.43 -25.93 39.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.0 tp -78.08 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' B' ' 39' ' ' SER . 5.1 m-80 -41.98 -47.72 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.4 ' C ' ' O ' ' B' ' 38' ' ' ASN . 5.9 t -38.64 -52.22 1.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.63 -67.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.489 HG12 HG13 ' B' ' 112' ' ' VAL . 6.1 mt -43.31 -54.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -54.04 -40.09 66.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.83 -70.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.665 ' HG ' HD23 ' B' ' 26' ' ' LEU . 17.6 mt -47.7 -46.52 29.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.402 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 0.1 OUTLIER -37.58 -40.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -104.46 -32.55 8.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -39.95 62.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.8 m -131.36 168.65 17.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.994 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 52.7 m -97.16 168.73 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.577 ' HD3' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -72.26 -39.56 68.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -70.09 -16.37 63.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.03 -44.32 16.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.577 ' CE3' ' HD3' ' B' ' 50' ' ' LYS . 27.0 m0 -45.61 107.05 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.74 19.76 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.1 p -92.64 133.63 35.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 110.048 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.7 -177.25 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.438 ' OD1' ' CG ' ' B' ' 70' ' ' GLU . 17.1 m-20 -132.15 112.81 12.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.4 ttm -91.62 105.74 17.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -83.68 125.63 32.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.534 HG11 ' O ' ' B' ' 125' ' ' ALA . 24.6 t -127.05 106.53 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.655 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -106.29 -155.32 0.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -40.94 -66.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.974 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -147.5 68.52 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -158.56 144.4 16.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.443 HG21 HG13 ' B' ' 126' ' ' VAL . 38.9 t -132.18 100.97 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.75 HG23 ' HG3' ' B' ' 79' ' ' GLU . 28.2 m -117.22 140.15 49.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.388 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.547 HG12 HD12 ' B' ' 77' ' ' LEU . 65.9 t -106.98 100.37 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.479 HG23 ' O ' ' B' ' 75' ' ' GLU . 40.3 mt -95.76 142.46 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.768 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -52.14 143.98 13.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.438 ' CG ' ' OD1' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -65.68 -56.53 11.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -47.8 -67.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' B' ' 69' ' ' SER . 42.1 m-20 -94.42 124.49 38.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.78 40.23 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.259 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.11 -44.06 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.479 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.2 OUTLIER -62.03 113.76 3.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.449 ' O ' HD23 ' B' ' 77' ' ' LEU . 73.0 t -77.83 152.54 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' B' ' 69' ' ' SER . 18.3 mt -121.78 -52.56 2.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.6 t -140.12 143.52 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.75 ' HG3' HG23 ' B' ' 66' ' ' THR . 0.7 OUTLIER -127.76 96.78 4.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.677 ' SG ' HD12 ' B' ' 85' ' ' LEU . 4.5 t -98.67 89.96 4.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 108.314 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.481 ' CZ ' ' HG2' ' B' ' 79' ' ' GLU . 0.6 OUTLIER -64.0 113.72 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.974 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.6 OUTLIER -44.78 -27.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' B' ' 81' ' ' ARG . 0.9 OUTLIER -72.07 -43.73 64.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' B' ' 81' ' ' ARG . 13.2 m-30 -75.82 -38.7 57.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.677 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.3 OUTLIER -39.39 151.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 1.6 p -128.33 -55.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.52 ' HB3' HD12 ' B' ' 100' ' ' ILE . 11.3 t80 -129.96 158.14 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.711 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.83 132.06 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -167.35 -150.95 6.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.148 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.473 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -129.16 166.03 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.473 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -84.35 -101.86 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -109.49 -22.68 11.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.04 146.95 41.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.71 ' HB ' HD13 ' A' ' 11' ' ' LEU . 3.3 m -79.47 -3.78 6.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.568 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 22.0 m80 -76.87 -24.93 52.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 43.3 p -98.5 161.15 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.374 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.7 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 29.6 t80 -158.51 113.16 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' B' ' 111' ' ' HIS . . . -111.88 173.09 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.57 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.8 p90 -169.61 143.68 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.5 mt -95.18 131.18 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 23.5 ptm -119.37 140.76 49.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -90.59 109.27 20.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.699 HG21 ' OE1' ' B' ' 109' ' ' GLU . 31.0 p -90.15 48.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.374 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.32 -91.46 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' B' ' 107' ' ' ARG . 1.9 m-20 -49.5 157.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.777 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.601 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 0.4 OUTLIER -43.32 -26.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.412 ' N ' ' C ' ' B' ' 105' ' ' ASN . 0.8 OUTLIER -56.18 139.73 46.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.601 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 14.4 m-85 -132.37 140.78 48.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . 0.699 ' OE1' HG21 ' B' ' 103' ' ' THR . 1.5 mt-10 -112.39 151.32 29.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.455 ' HB2' HG11 ' B' ' 28' ' ' VAL . 13.4 t -118.36 152.72 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' B' ' 98' ' ' ALA . 94.1 m-70 -135.88 164.53 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.604 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 4.6 t -148.61 152.24 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.604 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 14.9 m-85 -148.19 161.26 41.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -114.1 111.05 20.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 108.007 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -107.35 152.36 24.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 108.3 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 27.8 mt-10 -135.8 134.11 20.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.568 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -74.98 -54.93 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.035 -2.485 . . . . 0.0 111.0 0.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.588 ' CB ' HG23 ' B' ' 94' ' ' VAL . 16.4 p30 -107.9 174.76 5.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' B' ' 94' ' ' VAL . . . -103.06 32.2 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.599 ' HA ' HD21 ' A' ' 11' ' ' LEU . . . -67.23 -32.28 73.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -83.74 -49.32 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.785 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -56.39 -61.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 62.8 p -52.05 -37.8 54.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -67.9 -56.4 9.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.64 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -49.23 -24.05 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.785 HG23 ' O ' ' B' ' 122' ' ' VAL . 20.9 t -93.68 -39.57 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -63.88 -33.41 75.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.07 -26.9 33.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.438 ' CB ' HG21 ' B' ' 82' ' ' VAL . . . -68.04 -49.72 59.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.442 ' SG ' ' ND2' ' A' ' 21' ' ' ASN . 3.1 m -48.7 -46.13 40.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.02 -47.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.035 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 83.01 168.08 42.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 101.88 1.52 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.501 1.79 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 67.0 m -39.86 111.57 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.997 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 2.3 t -130.97 132.62 45.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.29 -63.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -137.26 116.5 12.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.6 t -73.96 154.93 6.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.598 HG23 ' HD2' ' A' ' 6' ' ' PRO . 17.3 m -81.3 143.9 52.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.1 Cg_endo -75.06 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.635 ' CD ' ' HB1' ' B' ' 120' ' ' ALA . 7.7 tp10 -51.78 -51.76 53.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.35 -52.08 55.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -45.8 -61.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -42.33 -46.87 4.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' B' ' 120' ' ' ALA . 21.5 mt -67.97 -54.59 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.404 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -49.18 -26.61 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -44.39 69.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 12.2 mtt -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -54.63 -28.57 47.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -125.85 -83.18 0.63 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.501 ' ND2' ' H ' ' A' ' 17' ' ' ASN . 4.3 m-80 -36.52 -47.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.93 -177.28 31.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -125.96 135.64 52.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 111.023 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.53 101.66 6.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' B' ' 82' ' ' VAL . 3.2 t-20 -55.54 118.33 18.78 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.19 5.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.5 t -51.72 -44.5 63.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 8.3 t80 -37.76 136.1 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -152.89 78.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -88.85 35.85 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER 61.4 176.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -157.42 148.04 21.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 1.176 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -155.27 88.82 1.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.24 122.43 39.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -73.11 124.37 25.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.3 p30 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -176.95 144.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -161.02 169.65 22.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 123.89 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.01 142.71 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.971 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.99 156.95 39.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.68 134.13 7.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.98 25.86 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.797 . . . . 0.0 111.045 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' B' ' 10' ' ' PRO . 80.5 m -111.09 143.72 28.94 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' B' ' 9' ' ' THR . 18.2 Cg_endo -75.03 108.96 2.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 147.71 52.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.463 HG21 ' HB1' ' B' ' 61' ' ' ALA . 18.4 m -141.88 167.64 21.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.422 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.455 ' N ' HG22 ' B' ' 12' ' ' THR . 9.2 mt-10 -141.97 150.71 41.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.255 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 58.38 109.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 75.9 t -106.13 139.76 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -52.77 63.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.476 ' O ' ' CD1' ' B' ' 18' ' ' PHE . 45.9 mttt 65.86 148.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.68 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 58.8 m-85 -156.88 103.66 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.19 114.69 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.508 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.6 m -143.2 -163.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.508 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -112.97 164.02 13.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -118.96 118.56 31.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.624 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -79.17 -33.63 43.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.73 -176.17 16.79 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.536 1.147 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.426 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.3 ttp -102.37 130.57 49.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.953 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -116.48 134.31 22.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.953 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.5 Cg_endo -74.95 136.39 20.46 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.3 m -130.97 -170.42 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -127.59 -62.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -79.85 146.38 64.05 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.43 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.3 Cg_endo -75.03 -19.86 17.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.39 150.98 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.97 140.78 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -45.19 25.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 0.74 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -25.73 67.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 76.4 m -71.45 -43.4 66.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.597 HD22 ' HE1' ' B' ' 87' ' ' PHE . 6.6 tp -65.5 -64.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -41.65 -52.23 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.29 -50.82 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.955 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -58.7 -70.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.63 HD13 ' N ' ' B' ' 91' ' ' GLY . 8.9 mt -40.18 -47.38 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.35 -45.65 92.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.8 OUTLIER -59.97 -64.82 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 26' ' ' LEU . 57.5 mt -50.65 -50.11 55.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.495 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.8 mmt -36.92 -56.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.2 t -82.01 -33.84 29.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.408 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 3.7 t -43.97 -63.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -117.13 -178.16 3.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.041 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 50.8 m -94.37 -176.54 3.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.0 OUTLIER -78.5 -38.12 41.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -29.79 64.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -40.27 86.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.552 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.4 m0 -55.79 110.78 2.5 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 161.73 38.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.472 1.774 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -85.46 129.71 34.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.423 1.077 . . . . 0.0 109.979 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 22.6 m -131.21 174.3 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -120.69 108.25 13.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 11.8 ttm -82.2 102.93 11.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -80.49 132.88 35.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.623 HG11 ' O ' ' B' ' 125' ' ' ALA . 25.0 t -136.98 98.9 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.463 ' HB1' HG21 ' B' ' 12' ' ' THR . . . -97.96 -157.45 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -40.6 -71.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.492 ' HB1' ' CG1' ' B' ' 82' ' ' VAL . . . -140.48 66.64 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 97.3 m -158.46 148.35 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.517 HG21 HG13 ' B' ' 126' ' ' VAL . 47.5 t -133.58 96.63 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 53.3 m -108.33 151.4 26.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 77' ' ' LEU . 79.9 t -119.86 106.16 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.485 HG21 ' O ' ' B' ' 73' ' ' GLU . 2.9 mt -104.33 149.61 7.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.7 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -60.62 134.23 56.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.004 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -52.63 55.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -63.59 -79.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -72.83 125.71 28.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.485 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.2 OUTLIER -89.41 -15.61 32.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.3 27.44 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -127.99 87.99 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.426 ' O ' HD23 ' B' ' 77' ' ' LEU . 5.1 p -60.59 151.62 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' B' ' 69' ' ' SER . 24.6 mt -121.46 -53.53 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' B' ' 111' ' ' HIS . 2.1 t -143.17 141.74 26.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -120.61 93.96 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.662 ' SG ' HD12 ' B' ' 85' ' ' LEU . 9.4 t -98.21 96.48 8.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 108.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 10.5 mmm-85 -76.87 120.13 21.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.688 HG22 ' SG ' ' B' ' 130' ' ' CYS . 1.1 t -51.08 -22.53 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -75.81 -41.43 52.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.594 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 11.4 m-85 -85.19 -29.68 24.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.662 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -44.16 135.72 4.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 61.0 p -104.3 -60.85 1.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.973 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' B' ' 88' ' ' MET . 13.1 t80 -132.32 158.16 42.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.616 ' N ' ' CD1' ' B' ' 87' ' ' PHE . 0.0 OUTLIER -166.46 130.9 2.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.79 -139.35 2.7 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.466 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.6 m -135.67 164.57 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.63 ' N ' HD13 ' B' ' 41' ' ' ILE . . . -87.8 -94.36 0.97 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -112.06 -37.08 5.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 142.86 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.425 HG23 ' CB ' ' B' ' 118' ' ' ASN . 4.7 m -76.18 -16.14 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -68.66 -10.65 57.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.655 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.516 HG22 ' CE3' ' B' ' 114' ' ' TRP . 41.6 p -111.7 157.94 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.604 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 53.4 t80 -157.67 115.23 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.737 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.66 171.07 8.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 5.6 p90 -163.08 143.92 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 111.037 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.616 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -94.33 142.13 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.55 ' CG ' ' HG3' ' B' ' 109' ' ' GLU . 25.2 ptm -145.52 144.64 30.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' B' ' 107' ' ' ARG . 9.2 t70 -90.2 138.9 31.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.695 HG21 ' CD ' ' B' ' 109' ' ' GLU . 69.0 p -118.69 -59.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.43 -137.15 9.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . 0.517 ' O ' ' CB ' ' B' ' 106' ' ' GLN . 4.2 m-20 -91.51 93.29 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.616 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 1.1 mt-30 86.99 -25.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.533 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -45.33 141.43 2.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.616 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 20.0 m-85 -141.54 132.82 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . 0.695 ' CD ' HG21 ' B' ' 103' ' ' THR . 12.6 pt-20 -126.29 131.53 51.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.602 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 52.5 t -101.08 124.19 46.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 99.2 m-70 -111.97 109.73 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.737 HG22 ' HB2' ' B' ' 98' ' ' ALA . 38.6 t -89.71 163.46 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.55 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 63.1 m-85 -153.94 166.7 32.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.516 ' CE3' HG22 ' B' ' 96' ' ' THR . 61.0 t-105 -122.08 111.78 17.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 107.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.487 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.5 m -110.36 156.01 21.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 108.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 7.6 mt-10 -136.65 135.5 20.5 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.02 -55.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.979 -2.509 . . . . 0.0 110.982 -0.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.425 ' CB ' HG23 ' B' ' 94' ' ' VAL . 29.7 p30 -107.67 177.59 4.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.601 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -100.85 48.15 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.733 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -84.25 -39.08 19.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.43 -43.2 27.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.913 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.4 t -62.51 -61.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 26.3 p -52.5 -36.15 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.51 -55.85 10.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.68 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.53 -22.12 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.913 HG23 ' O ' ' B' ' 122' ' ' VAL . 13.5 t -93.6 -50.27 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -54.54 -36.67 64.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.95 -25.88 56.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.468 ' CB ' HG21 ' B' ' 82' ' ' VAL . . . -69.06 -51.01 43.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.688 ' SG ' HG22 ' B' ' 82' ' ' VAL . 66.8 m -55.32 -50.0 70.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 108.334 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 38.1 t -48.03 -70.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.96 169.09 40.95 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.534 1.147 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -45.11 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 64.9 p -134.62 86.96 2.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.82 118.57 29.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.89 144.76 25.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 41.99 77.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.73 152.59 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.9 m -64.0 131.47 94.97 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.06 -10.12 20.99 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.53 ' CG ' ' HB1' ' B' ' 120' ' ' ALA . 1.0 OUTLIER -98.67 -41.59 7.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.31 -38.08 76.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -28.77 68.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.614 ' CD2' HD23 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -72.32 -5.45 36.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.596 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 HD23 ' CD2' ' A' ' 10' ' ' HIS . 13.8 mt -103.26 -41.66 5.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.442 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.4 m -51.05 -21.81 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 14' ' ' MET . 0.0 OUTLIER -87.43 -27.97 22.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.1 mtt -80.48 -16.24 54.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -76.52 -19.06 58.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 12' ' ' SER . 1.4 mp0 -119.18 -97.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -40.4 -29.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 16' ' ' GLN . . . 58.61 -144.36 43.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -154.78 129.54 9.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -114.29 94.56 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -62.98 112.19 6.31 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -75.06 -173.15 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.521 ' CB ' ' O ' ' A' ' 22' ' ' PRO . 0.5 OUTLIER 85.02 -39.7 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.421 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 40.7 t80 -57.95 -82.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER 178.84 166.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' O ' ' O ' ' A' ' 25' ' ' LYS . 3.5 t80 59.85 124.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -115.87 166.54 11.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.29 107.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.337 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.1 166.55 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.2 mtm -150.56 143.34 24.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -118.05 130.93 56.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.0 p30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.09 167.59 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.793 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -145.68 153.89 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.22 84.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -146.86 170.79 16.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 0.796 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.94 113.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.33 -142.18 7.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.63 18.03 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.529 1.804 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 27.3 p -136.4 159.56 70.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 110.38 3.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.476 1.777 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -99.1 95.41 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -128.09 124.22 36.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.404 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -77.85 155.32 31.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.4 mm? 64.27 131.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.683 HG11 ' OD1' ' B' ' 59' ' ' ASN . 72.1 t -139.89 151.72 22.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -55.37 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 51.2 mttt 68.35 145.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.67 ' O ' HG13 ' B' ' 20' ' ' VAL . 69.0 m-85 -156.22 93.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -62.56 100.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.67 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.1 m -128.07 -163.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.451 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.5 tt0 -107.68 167.16 10.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -123.6 115.14 21.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.528 HD13 HG12 ' B' ' 112' ' ' VAL . 0.2 OUTLIER -77.27 -41.38 41.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.94 -174.73 19.41 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.478 1.112 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.456 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.8 ttp -102.83 132.34 49.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.969 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -117.97 134.28 23.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.969 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 137.78 22.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 14.6 m -139.73 179.32 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -122.83 -50.94 1.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -76.13 135.17 70.21 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -16.27 20.26 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.13 -179.83 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.25 141.05 11.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.54 1.15 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.423 ' HE3' ' O ' ' B' ' 90' ' ' VAL . 30.6 mmm -80.21 -40.33 27.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 0.807 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.89 -34.76 13.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 16.2 m -85.26 -31.59 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.617 HD12 ' SG ' ' B' ' 110' ' ' CYS . 11.4 tp -70.71 -61.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.633 ' HA ' HD12 ' B' ' 41' ' ' ILE . 0.7 OUTLIER -50.65 -45.86 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 48.0 t -39.61 -46.61 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.412 ' HB1' ' CB ' ' B' ' 26' ' ' LEU . . . -64.13 -61.66 2.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 38' ' ' ASN . 11.3 mt -42.09 -42.41 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.442 ' O ' HG22 ' B' ' 46' ' ' THR . 21.6 mt-10 -65.87 -53.57 38.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.577 ' ND2' HD11 ' B' ' 26' ' ' LEU . 2.5 t-20 -51.2 -60.36 3.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.522 ' CD2' HD23 ' B' ' 26' ' ' LEU . 76.4 mt -53.41 -54.81 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.402 ' C ' ' O ' ' B' ' 44' ' ' LEU . 2.3 mmt -37.46 -66.08 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.499 HG23 ' N ' ' B' ' 47' ' ' SER . 5.2 t -67.79 -53.69 25.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.409 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.499 ' N ' HG23 ' B' ' 46' ' ' THR . 3.7 m -36.04 -86.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.6 m -76.32 -176.55 3.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.533 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.5 m -105.34 -177.05 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -85.76 -35.92 20.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.21 -19.67 53.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.88 -38.29 70.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.591 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 14.1 m0 -54.63 109.03 1.33 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.71 42.02 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.498 1.789 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 3.2 p -79.44 132.37 36.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.023 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.35 171.96 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 91.0 m-20 -120.62 108.7 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 17.6 ttm -82.28 106.89 14.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.683 ' OD1' HG11 ' B' ' 15' ' ' VAL . 2.2 m-80 -81.72 130.23 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.462 HG11 ' O ' ' B' ' 125' ' ' ALA . 36.7 t -131.72 103.21 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' B' ' 62' ' ' ASP . . . -103.1 -160.9 0.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' B' ' 61' ' ' ALA . 0.7 OUTLIER -40.64 -58.51 1.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.92 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -152.68 69.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.0 m -160.82 140.89 11.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 56.3 t -128.61 96.22 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.569 HG23 ' HG3' ' B' ' 79' ' ' GLU . 91.4 m -112.79 132.08 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.548 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 98.5 t -103.11 99.7 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -96.94 152.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.636 ' HA ' HD11 ' B' ' 77' ' ' LEU . 1.6 t -60.63 136.37 58.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.411 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.2 OUTLIER -51.68 -56.87 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -81.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -63.6 122.2 15.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.96 -12.39 44.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -109.51 32.05 5.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -130.89 89.68 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.467 ' O ' HD23 ' B' ' 77' ' ' LEU . 4.6 p -65.19 152.33 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' B' ' 69' ' ' SER . 13.7 mt -122.46 -51.54 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 2.0 t -142.47 123.74 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.569 ' HG3' HG23 ' B' ' 66' ' ' THR . 5.7 tt0 -109.3 93.88 4.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.712 ' SG ' HD12 ' B' ' 85' ' ' LEU . 20.0 t -97.02 99.64 11.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' B' ' 81' ' ' ARG . 1.1 mpt_? -73.75 115.18 12.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.92 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -42.83 -27.2 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.451 ' N ' ' C ' ' B' ' 81' ' ' ARG . 24.3 mmt180 -70.2 -46.91 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 11.6 m-85 -75.63 -35.11 60.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.712 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.5 OUTLIER -42.48 148.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 77.8 p -122.16 -62.51 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.02 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.86 ' HB3' HD12 ' B' ' 100' ' ' ILE . 30.8 t80 -122.18 162.74 20.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.85 119.7 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -162.85 -161.73 12.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.611 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.7 m -121.17 172.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.44 0.73 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.611 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -106.4 -120.84 4.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -73.5 -42.76 61.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.08 140.97 45.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.612 ' HB ' HD13 ' A' ' 11' ' ' LEU . 3.3 m -72.72 -34.22 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.242 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -42.6 -27.32 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.425 ' N ' ' C ' ' B' ' 94' ' ' VAL . 21.0 p -100.32 139.23 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.557 ' CD1' ' OG ' ' B' ' 123' ' ' SER . 68.9 t80 -134.9 112.86 11.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' B' ' 111' ' ' HIS . . . -108.54 170.07 8.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' B' ' 99' ' ' PHE . 5.2 p90 -164.65 144.63 7.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.86 HD12 ' HB3' ' B' ' 87' ' ' PHE . 5.3 mt -95.02 133.33 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 22.8 ptm -133.9 142.89 47.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -81.56 124.8 29.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.664 HG21 ' CD ' ' B' ' 109' ' ' GLU . 82.0 p -122.02 50.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.75 -146.61 16.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.96 -74.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.295 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.593 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 5.1 mt-30 -120.2 3.08 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.42 ' O ' ' CD1' ' B' ' 108' ' ' PHE . 9.7 mpt_? -58.54 145.4 39.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.593 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 13.6 m-85 -137.32 127.0 25.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . 0.664 ' CD ' HG21 ' B' ' 103' ' ' THR . 80.1 mt-10 -115.16 124.01 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.617 ' SG ' HD12 ' B' ' 37' ' ' LEU . 46.4 t -100.32 121.87 42.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' B' ' 25' ' ' MET . 96.9 m-70 -110.06 163.53 13.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 109.583 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.568 ' C ' ' CD1' ' B' ' 113' ' ' PHE . 8.6 t -143.41 154.89 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 21.2 m-85 -147.31 168.98 20.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 38.5 t-105 -124.87 111.89 16.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 107.995 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -111.71 158.93 18.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 108.365 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.484 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 41.1 mt-10 -134.81 132.86 20.72 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -75.03 -55.97 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.004 -2.499 . . . . 0.0 111.0 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.541 ' ND2' ' HB2' ' B' ' 120' ' ' ALA . 50.8 p-10 -106.56 177.89 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.479 ' CB ' ' HB2' ' B' ' 97' ' ' PHE . . . -98.9 39.84 1.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.541 ' HB2' ' ND2' ' B' ' 118' ' ' ASN . . . -72.37 -65.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -56.76 -19.57 17.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.946 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.0 t -87.06 -62.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.557 ' OG ' ' CD1' ' B' ' 97' ' ' PHE . 45.9 m -57.65 -31.26 66.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.2 -58.54 3.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.462 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -51.47 -22.06 2.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.946 HG23 ' O ' ' B' ' 122' ' ' VAL . 21.2 t -93.24 -34.36 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -63.37 -41.7 98.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.23 -20.26 55.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.17 -57.22 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.597 ' SG ' HG22 ' B' ' 82' ' ' VAL . 11.1 m -52.45 -58.17 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 34.4 t -43.41 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 96.65 168.41 33.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 135.97 19.9 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.5 96.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 55.94 80.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.18 -61.61 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.56 97.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.1 t -74.93 152.77 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.597 HG23 ' HD2' ' A' ' 6' ' ' PRO . 14.7 m -80.73 143.45 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.445 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.597 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.4 Cg_endo -74.94 -52.41 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.706 ' HG3' ' HB1' ' B' ' 120' ' ' ALA . 2.9 tp10 -52.64 -50.08 63.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.462 ' H ' HG22 ' A' ' 5' ' ' THR . 0.6 OUTLIER -52.25 -56.87 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.52 -48.03 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -53.69 -40.32 65.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.629 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.828 HD11 ' HB2' ' B' ' 120' ' ' ALA . 88.3 mt -80.29 -66.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -38.95 -30.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.9 ttpt -75.57 -68.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.404 ' SD ' ' CB ' ' A' ' 19' ' ' TYR . 2.8 mmt -41.29 -36.01 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 111.003 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -44.32 -63.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' B' ' 34' ' ' MET . 0.1 OUTLIER -94.75 -67.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -44.65 -63.7 0.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.06 -172.87 51.81 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.596 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 42.3 t80 -146.82 134.27 20.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 0.777 . . . . 0.0 110.963 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.702 ' OE2' HG11 ' B' ' 32' ' ' VAL . 0.0 OUTLIER -117.69 106.94 13.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.326 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.606 ' OD1' HG22 ' A' ' 23' ' ' THR . 33.1 t-20 -40.72 102.87 0.27 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.107 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 70.18 5.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.606 HG22 ' OD1' ' A' ' 21' ' ' ASN . 2.4 t -165.84 -42.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.606 ' CE1' ' O ' ' B' ' 84' ' ' PHE . 10.5 t80 -44.77 170.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.02 164.42 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.638 ' CD1' ' N ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -171.94 168.96 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -127.69 176.32 7.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.45 143.84 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.565 1.166 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -119.31 173.97 6.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.0 mtm -145.89 152.39 39.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 57.14 94.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.14 103.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -150.08 139.64 21.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.027 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.52 94.53 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -148.48 122.91 9.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.1 m -136.15 93.44 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.99 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.01 130.23 21.87 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 142.51 27.79 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 9.3 p -52.62 160.12 1.49 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.18 25.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -174.95 129.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.4 t -97.69 147.45 24.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -161.02 -178.48 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -87.78 107.37 18.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t -104.82 141.57 19.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.07 -56.24 20.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.435 ' CG ' ' OD1' ' B' ' 59' ' ' ASN . 47.3 mttt 68.59 147.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.596 ' O ' HG13 ' B' ' 20' ' ' VAL . 45.6 m-85 -157.99 92.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -64.01 100.74 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 110.242 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.596 HG13 ' O ' ' B' ' 18' ' ' PHE . 3.2 m -128.41 -164.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.407 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.1 tt0 -105.35 171.4 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.34 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -129.12 102.51 6.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.752 HD13 HG12 ' B' ' 112' ' ' VAL . 0.3 OUTLIER -62.26 -40.07 95.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.41 -170.93 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.512 1.132 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.476 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.9 ttp -109.29 126.31 53.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.965 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -115.16 133.46 22.69 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.965 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.4 Cg_endo -74.97 145.4 31.5 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 m -133.56 -170.33 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.83 -53.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.4 mmt-85 -87.65 152.45 51.75 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.467 ' HB3' ' CZ ' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -75.03 -31.28 6.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . 0.702 HG11 ' OE2' ' A' ' 20' ' ' GLU . 32.6 m -129.2 171.0 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.82 132.96 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.426 1.078 . . . . 0.0 110.962 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -82.25 -20.58 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -81.54 -22.77 37.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.9 m -85.02 -42.91 14.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.26 -60.45 3.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.436 ' HA ' HD12 ' B' ' 41' ' ' ILE . 1.3 m-80 -45.78 -47.9 15.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.57 -48.59 4.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' B' ' 41' ' ' ILE . . . -58.76 -64.86 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' B' ' 38' ' ' ASN . 13.6 mt -40.48 -45.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -63.2 -48.01 80.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.66 -59.8 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.566 ' HG ' HD23 ' B' ' 26' ' ' LEU . 41.9 mt -54.1 -51.42 64.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' B' ' 44' ' ' LEU . 0.3 OUTLIER -36.72 -48.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.408 ' O ' ' C ' ' B' ' 47' ' ' SER . 2.4 t -88.0 -36.74 16.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.7 t -38.57 -70.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.969 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.1 m -113.85 -176.39 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 51.9 m -94.87 -175.47 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 1.1 ttmt -79.65 -37.21 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -28.73 65.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -62.04 -43.53 98.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.558 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.0 m0 -52.28 108.64 1.13 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 108.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.59 41.26 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.4 p -84.08 131.94 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.25 169.39 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' B' ' 70' ' ' GLU . 92.2 m-20 -115.12 109.77 18.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 12.1 ttm -82.4 101.01 10.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . 0.435 ' OD1' ' CG ' ' B' ' 17' ' ' LYS . 5.7 m-20 -76.5 132.84 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.55 HG11 ' O ' ' B' ' 125' ' ' ALA . 56.8 t -136.76 98.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.63 -154.85 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.32 -76.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.781 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -137.11 65.12 1.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 55.5 m -156.96 143.63 18.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.66 HG21 HG13 ' B' ' 126' ' ' VAL . 76.6 t -130.72 96.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.407 ' CG2' HG23 ' B' ' 76' ' ' VAL . 40.6 m -107.78 151.62 25.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' B' ' 77' ' ' LEU . 80.4 t -119.72 100.58 9.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -98.87 148.7 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.524 ' HA ' HD11 ' B' ' 77' ' ' LEU . 2.4 t -56.57 133.64 53.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.423 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -46.69 -51.72 15.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -81.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -60.54 120.11 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.16 -5.06 58.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -117.06 22.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -119.6 88.32 2.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.407 HG23 ' CG2' ' B' ' 66' ' ' THR . 7.3 p -64.05 147.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' B' ' 69' ' ' SER . 22.5 mt -119.04 -53.46 2.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 t -136.29 137.06 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.527 ' O ' ' HE3' ' B' ' 101' ' ' MET . 6.3 tt0 -117.14 93.99 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.614 ' SG ' HD12 ' B' ' 85' ' ' LEU . 36.9 t -96.99 87.59 4.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' B' ' 84' ' ' PHE . 11.8 mmt180 -70.85 112.61 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.781 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -39.51 -40.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -51.47 66.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.354 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.606 ' O ' ' CE1' ' A' ' 24' ' ' TYR . 7.6 m-85 -72.48 -38.3 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.614 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.9 OUTLIER -39.95 134.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -103.71 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 75.3 t80 -135.23 166.08 23.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.46 ' CE ' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -168.17 138.19 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.99 -152.13 7.8 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.523 HG23 ' N ' ' B' ' 91' ' ' GLY . 2.0 m -127.76 168.65 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.347 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.523 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -97.61 -112.27 3.02 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' B' ' 93' ' ' ASP . 5.8 pttp -88.66 -47.77 8.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.428 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 0.5 OUTLIER -106.6 117.38 33.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' B' ' 90' ' ' VAL . 35.0 m -44.97 -31.89 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . . . . . . . . . 11.1 m80 -47.75 -24.31 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.576 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.509 HG22 ' CE3' ' B' ' 114' ' ' TRP . 65.2 p -102.0 132.38 47.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -130.5 121.42 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.732 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -118.01 168.49 10.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' B' ' 111' ' ' HIS . 5.0 p90 -165.98 142.16 5.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' B' ' 108' ' ' PHE . 3.9 mt -95.42 135.06 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . 0.528 ' HE2' HG22 ' B' ' 103' ' ' THR . 27.8 ptm -134.02 148.9 51.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -87.38 123.78 32.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.528 HG22 ' HE2' ' B' ' 101' ' ' MET . 58.2 p -121.58 -58.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' B' ' 107' ' ' ARG . . . -101.45 -168.43 27.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -57.28 89.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.602 ' O ' ' CE1' ' B' ' 108' ' ' PHE . 75.7 mt-30 68.64 5.15 4.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.463 ' HB2' ' CA ' ' B' ' 104' ' ' GLY . 0.0 OUTLIER -62.17 142.63 57.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' B' ' 106' ' ' GLN . 11.7 m-85 -128.71 128.16 43.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -119.83 133.8 55.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.529 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 31.2 t -100.27 115.05 29.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.571 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 98.6 m-70 -108.43 106.5 16.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.575 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.752 HG12 HD13 ' B' ' 23' ' ' LEU . 41.2 t -90.23 155.07 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 47.5 m-85 -147.03 151.7 37.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.093 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . 0.509 ' CE3' HG22 ' B' ' 96' ' ' THR . 53.8 t-105 -108.48 112.48 24.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 107.991 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.53 ' SG ' HG21 ' B' ' 122' ' ' VAL . 4.3 m -102.18 163.46 12.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.341 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' B' ' 117' ' ' PRO . 27.6 mt-10 -139.9 125.06 11.45 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' B' ' 116' ' ' GLU . 18.2 Cg_endo -75.08 -66.18 0.03 OUTLIER 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.024 0.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -95.3 -178.3 4.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -108.84 46.31 0.98 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.828 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -77.68 -47.55 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -72.57 -35.77 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.92 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.5 t -64.91 -63.69 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 18.1 t -58.6 -23.29 58.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 4.1 tp10 -78.7 -54.01 6.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.55 ' O ' HG11 ' B' ' 60' ' ' VAL . . . -56.85 -20.11 21.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.92 HG23 ' O ' ' B' ' 122' ' ' VAL . 16.9 t -94.07 -47.21 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -60.04 -26.97 66.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.48 -21.37 28.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.99 -48.2 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.574 ' SG ' HG22 ' B' ' 82' ' ' VAL . 2.3 m -50.35 -38.7 43.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 3.0 m -176.04 -60.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 168.05 44.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 165.63 30.85 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 60.1 p -75.46 -56.68 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.91 132.96 40.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.58 -68.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -126.5 89.47 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.663 HG23 ' N ' ' A' ' 5' ' ' THR . 7.1 m -80.72 -143.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.663 ' N ' HG23 ' A' ' 4' ' ' VAL . 3.0 m -94.35 141.11 23.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 5' ' ' THR . 18.2 Cg_endo -75.01 -14.95 20.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.789 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.781 ' OE2' ' HB1' ' B' ' 120' ' ' ALA . 2.6 tp10 -97.2 -42.34 7.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.79 -28.66 70.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -48.89 37.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -51.34 -22.29 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.581 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.801 HD11 ' HB2' ' B' ' 120' ' ' ALA . 21.2 mt -92.96 -45.7 7.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 63.3 m -50.04 -23.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.14 -65.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.9 mtt -50.39 -35.42 28.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.48 ' HA ' HG22 ' B' ' 90' ' ' VAL . 5.5 mt-30 -39.43 -59.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 12' ' ' SER . 0.0 OUTLIER -112.49 -61.03 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -48.09 -24.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 47.06 -169.49 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -140.39 143.49 35.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.763 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -135.86 96.89 3.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.686 ' HB2' HG22 ' A' ' 23' ' ' THR . 44.6 p-10 -60.34 133.47 90.8 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -74.96 -27.34 10.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.686 HG22 ' HB2' ' A' ' 21' ' ' ASN . 1.4 t -37.31 -44.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 6.9 t80 -56.62 -178.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mttt 175.99 -83.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 55.22 88.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -142.24 154.31 44.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 58.2 84.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.274 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -176.55 76.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -135.48 -56.28 0.79 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.04 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -140.29 -60.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 t30 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.9 t -177.51 155.36 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.2 168.35 6.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.97 -165.58 14.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 82.6 p -176.25 131.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -114.54 172.36 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.92 149.98 21.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -169.55 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 40.5 p -128.45 158.39 71.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.38 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 166.29 29.49 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.83 131.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -100.91 122.16 42.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.397 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.1 172.77 12.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' B' ' 14' ' ' LEU . 1.6 mm? -94.27 123.77 37.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.797 HG22 ' HB2' ' B' ' 61' ' ' ALA . 39.6 t -129.07 152.95 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -34.42 22.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' B' ' 18' ' ' PHE . 0.1 OUTLIER 62.21 155.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.855 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 38.6 m-85 -162.17 94.87 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -70.78 113.13 7.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.455 HG11 HG21 ' B' ' 122' ' ' VAL . 2.7 m -140.74 -165.54 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.445 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.6 tt0 -106.84 165.58 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -121.99 110.28 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.582 ' O ' HD22 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -71.71 -30.33 65.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.63 ' O ' HD11 ' B' ' 44' ' ' LEU . . . 121.92 -176.68 16.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.503 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.1 ttp -101.33 129.68 47.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 0.804 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.942 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.2 OUTLIER -120.23 134.3 24.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.942 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.04 146.93 33.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.81 -159.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.75 -66.86 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -78.72 150.41 75.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 m -149.06 139.29 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.63 136.09 1.97 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . 0.432 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -68.83 -50.21 51.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.974 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -13.15 50.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.1 m -84.33 -36.48 22.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.447 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' B' ' 40' ' ' ALA . 4.8 tp -75.97 -64.7 1.03 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' B' ' 39' ' ' SER . 2.5 m-80 -40.62 -53.37 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.411 ' C ' ' O ' ' B' ' 38' ' ' ASN . 0.4 OUTLIER -38.64 -38.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' B' ' 43' ' ' ASN . . . -72.81 -66.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.513 ' O ' ' CG ' ' B' ' 45' ' ' MET . 18.3 mt -41.32 -40.91 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -69.59 -44.43 70.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' B' ' 40' ' ' ALA . 0.3 OUTLIER -60.95 -61.87 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.63 HD11 ' O ' ' B' ' 24' ' ' GLY . 16.6 mt -52.79 -50.37 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.513 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 1.4 mmt -37.32 -58.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.404 ' O ' ' C ' ' B' ' 47' ' ' SER . 4.4 t -79.19 -34.82 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.5 t -38.96 -68.37 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.036 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 m -116.31 -179.25 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 40.3 m -90.66 -177.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -80.68 -37.3 31.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.77 -18.01 61.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -39.45 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.59 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.8 m0 -54.72 110.34 2.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 107.988 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.8 40.99 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.466 1.771 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -86.32 122.58 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.43 173.52 10.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -119.99 113.86 21.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 18.4 ttm -88.49 99.14 12.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -75.1 123.93 26.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.633 HG11 ' HB1' ' B' ' 125' ' ' ALA . 25.6 t -126.62 105.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.797 ' HB2' HG22 ' B' ' 15' ' ' VAL . . . -107.35 -156.46 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.68 -66.21 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.944 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . -148.3 69.01 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 16.3 m -160.58 138.69 9.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.443 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.406 HG21 HG13 ' B' ' 126' ' ' VAL . 55.8 t -126.03 98.39 4.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.441 HG23 ' HG3' ' B' ' 79' ' ' GLU . 92.2 m -114.16 136.02 53.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.423 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.462 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 69.9 t -100.63 104.51 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.795 HG23 ' O ' ' B' ' 75' ' ' GLU . 25.2 mt -98.92 147.9 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.488 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.3 OUTLIER -64.57 127.34 31.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.118 . . . . 0.0 109.994 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -58.47 7.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -81.16 79.03 7.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' B' ' 73' ' ' GLU . 0.7 OUTLIER 164.19 -69.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' B' ' 72' ' ' ASN . 0.6 OUTLIER 88.96 -36.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.13 40.8 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.795 ' O ' HG23 ' B' ' 68' ' ' ILE . 0.7 OUTLIER -145.69 116.64 7.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.4 t -86.51 143.39 11.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' B' ' 69' ' ' SER . 32.2 mt -114.73 -53.63 2.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 66' ' ' THR . 1.7 t -137.73 144.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' B' ' 66' ' ' THR . 2.1 tt0 -126.99 94.64 4.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.725 ' SG ' HD12 ' B' ' 85' ' ' LEU . 29.0 t -97.81 89.7 4.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.282 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' B' ' 84' ' ' PHE . 1.7 mpt_? -66.12 114.88 5.58 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.944 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -44.4 -27.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' B' ' 81' ' ' ARG . 5.9 mmt85 -72.35 -44.18 62.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.265 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.597 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 14.6 m-30 -78.02 -34.98 50.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.725 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.6 OUTLIER -39.77 143.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.421 ' OG ' HG22 ' B' ' 100' ' ' ILE . 2.8 p -115.23 -62.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' B' ' 88' ' ' MET . 9.5 t80 -132.85 150.64 52.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.562 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -157.39 130.99 7.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -166.26 -153.44 7.76 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.609 HG23 ' N ' ' B' ' 91' ' ' GLY . 1.4 m -126.11 172.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.609 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -94.28 -100.99 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.97 -31.24 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 109.348 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.04 143.1 33.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' B' ' 118' ' ' ASN . 1.9 m -80.94 2.71 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' B' ' 117' ' ' PRO . 10.7 m80 -86.51 -21.66 26.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.624 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 13.5 p -97.1 158.51 15.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.638 ' CE2' HG21 ' B' ' 126' ' ' VAL . 35.8 t80 -157.88 112.88 2.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.795 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.35 162.28 17.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.594 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 7.2 p90 -153.15 143.57 22.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . 0.469 HD12 ' HB3' ' B' ' 87' ' ' PHE . 4.1 mt -95.88 130.26 44.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 28.7 ptm -128.29 148.17 50.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -97.69 125.57 42.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' B' ' 104' ' ' GLY . 23.2 p -110.97 -58.22 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . 0.409 ' N ' ' OG1' ' B' ' 103' ' ' THR . . . -96.72 -166.21 33.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -40.58 -80.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -114.75 2.57 14.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' B' ' 108' ' ' PHE . 0.0 OUTLIER -68.19 131.21 44.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.475 ' N ' ' HD2' ' B' ' 107' ' ' ARG . 11.9 m-85 -122.93 158.29 30.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.41 150.33 48.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 45.4 t -118.99 126.37 51.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.553 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 97.4 m-70 -120.57 109.59 15.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.587 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.795 HG22 ' HB2' ' B' ' 98' ' ' ALA . 39.6 t -90.63 164.49 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.587 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 65.3 m-85 -156.31 156.72 34.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -111.99 114.73 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' B' ' 122' ' ' VAL . 3.7 m -111.83 149.77 31.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 108.268 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 36.3 mt-10 -132.67 135.37 25.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.314 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' B' ' 95' ' ' HIS . 18.2 Cg_endo -75.02 -55.81 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 121.015 -2.494 . . . . 0.0 110.993 0.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.498 ' CB ' HG23 ' B' ' 94' ' ' VAL . 5.0 p30 -107.22 175.08 5.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.446 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -98.47 42.08 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.801 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -82.86 -25.42 32.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -43.27 9.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.899 ' O ' HG23 ' B' ' 126' ' ' VAL . 1.7 t -64.65 -62.58 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.471 ' N ' HG12 ' B' ' 122' ' ' VAL . 2.2 p -53.45 -37.26 62.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.048 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.544 ' OE2' ' HB2' ' B' ' 128' ' ' ALA . 12.1 tp10 -63.01 -56.59 15.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.855 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -54.15 -20.38 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.899 HG23 ' O ' ' B' ' 122' ' ' VAL . 18.2 t -93.63 -32.68 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 123' ' ' SER . 3.4 tt0 -70.27 -43.78 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.247 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . 0.544 ' HB2' ' OE2' ' B' ' 124' ' ' GLU . . . -76.3 -20.25 57.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' B' ' 125' ' ' ALA . . . -69.32 -42.03 75.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.734 ' SG ' HG22 ' B' ' 82' ' ' VAL . 58.1 m -65.54 -48.77 71.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 19.7 m -175.54 86.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . -68.2 -135.4 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 7.6 t -72.83 95.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 58.6 p -95.53 152.22 18.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.67 174.32 13.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.44 62.92 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.4 m -60.78 -168.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 6' ' ' PRO . 2.4 m -63.03 146.64 95.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 110.43 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 5' ' ' THR . 18.5 Cg_endo -74.98 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.647 ' CD ' ' HB1' ' B' ' 120' ' ' ALA . 8.3 tp10 -58.87 -52.21 66.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.615 ' H ' HG22 ' A' ' 5' ' ' THR . 0.9 OUTLIER -51.13 -47.89 61.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -63.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -40.64 -47.91 2.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.607 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.622 HD11 ' HB2' ' B' ' 120' ' ' ALA . 73.3 mt -66.51 -53.74 31.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.19 -25.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASN . 6.3 tttp -74.6 -62.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.467 ' HE3' ' HB2' ' A' ' 19' ' ' TYR . 36.3 mtt -63.77 -9.74 16.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.459 ' CD ' HG12 ' B' ' 94' ' ' VAL . 2.6 mt-30 -69.2 -27.42 65.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -141.23 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 13' ' ' LYS . 1.1 m-20 -70.62 -25.96 63.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 14' ' ' MET . . . 56.81 -157.48 11.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' O ' ' CD1' ' B' ' 87' ' ' PHE . 88.7 t80 -153.4 136.58 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.74 94.7 5.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -58.4 126.65 79.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' O ' ' HB ' ' A' ' 23' ' ' THR . 18.2 Cg_endo -75.0 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.466 1.771 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 22' ' ' PRO . 0.7 OUTLIER 70.9 -57.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.414 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' B' ' 84' ' ' PHE . 10.7 t80 -36.91 -45.03 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.01 149.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -175.5 160.37 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.088 . . . . 0.0 110.956 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.5 t80 52.92 86.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.01 138.23 55.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -58.29 7.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.1 mmt -61.49 -55.01 35.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -178.72 153.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.2 119.29 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.974 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -163.19 162.47 25.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 118.02 0.95 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -161.41 97.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.14 131.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.52 147.62 22.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.1 10.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.474 1.776 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.446 ' HA ' ' HD3' ' B' ' 10' ' ' PRO . 19.1 p -131.24 141.72 42.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' B' ' 9' ' ' THR . 18.4 Cg_endo -75.0 167.02 27.97 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.78 62.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.9 m -68.33 139.27 55.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.361 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.01 155.32 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.341 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.97 119.04 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.646 HG23 ' HG3' ' B' ' 17' ' ' LYS . 10.1 m -58.16 177.72 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -56.95 8.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.646 ' HG3' HG23 ' B' ' 15' ' ' VAL . 68.3 mttt 62.85 151.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' B' ' 125' ' ' ALA . 87.6 m-85 -157.14 112.67 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.7 120.7 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.53 HG23 ' N ' ' B' ' 21' ' ' GLN . 2.4 m -149.57 -162.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . 0.53 ' N ' HG23 ' B' ' 20' ' ' VAL . 1.9 mt-30 -113.15 170.43 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -125.76 101.29 6.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.679 HD13 HG12 ' B' ' 112' ' ' VAL . 0.6 OUTLIER -62.78 -38.01 88.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.39 -170.59 20.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.54 ' HG3' ' CE1' ' B' ' 111' ' ' HIS . 3.4 ttp -105.52 131.69 52.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.762 HD13 ' HD2' ' B' ' 27' ' ' PRO . 0.1 OUTLIER -117.52 130.94 24.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . 0.762 ' HD2' HD13 ' B' ' 26' ' ' LEU . 18.2 Cg_endo -75.0 128.3 11.37 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.458 1.767 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.426 ' HB ' ' CG2' ' B' ' 36' ' ' THR . 32.1 m -117.36 -168.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.05 -52.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -93.49 150.52 39.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.489 ' HB3' ' CE1' ' B' ' 108' ' ' PHE . 18.2 Cg_endo -74.97 -31.81 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.773 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -131.32 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.42 111.04 0.24 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' MET . . . . . . . . . . . . . 4.8 tpt -64.9 -9.69 23.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 0.789 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.14 -33.8 15.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' B' ' 28' ' ' VAL . 1.2 m -78.24 -35.7 47.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.418 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -64.53 -65.5 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -42.12 -51.44 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 4.6 t -39.9 -46.59 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -64.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.465 HD13 ' N ' ' B' ' 91' ' ' GLY . 14.4 mt -43.73 -42.44 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -67.57 -47.05 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.516 ' O ' HG22 ' B' ' 46' ' ' THR . 1.5 t-20 -58.11 -68.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.76 ' HG ' HD23 ' B' ' 26' ' ' LEU . 32.9 mt -45.56 -51.57 11.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.451 ' CG ' ' O ' ' B' ' 41' ' ' ILE . 2.2 mmt -38.11 -48.55 1.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.516 HG22 ' O ' ' B' ' 43' ' ' ASN . 2.8 t -88.29 -35.3 17.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.434 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.413 ' CB ' ' HA ' ' B' ' 44' ' ' LEU . 8.4 t -39.26 -69.39 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.5 m -112.1 -175.94 2.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.031 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' SER . . . . . 0.483 ' O ' ' CE2' ' B' ' 53' ' ' TRP . 74.0 m -90.06 -175.96 4.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CE3' ' B' ' 53' ' ' TRP . 0.0 OUTLIER -84.57 -34.61 23.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -21.62 51.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.82 -36.37 78.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.244 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . 0.594 ' CE3' ' HA ' ' B' ' 50' ' ' LYS . 10.7 m0 -57.1 111.29 3.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 154.99 42.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 2.6 p -80.4 130.45 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 33.8 m -129.13 173.8 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -126.94 107.5 10.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.8 ttm -82.49 108.41 15.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -92.84 122.52 35.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' VAL . . . . . 0.536 HG11 ' O ' ' B' ' 125' ' ' ALA . 22.9 t -122.17 109.14 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.639 ' CB ' HG12 ' B' ' 15' ' ' VAL . . . -162.46 166.75 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.87 28.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.917 ' HB1' HG11 ' B' ' 82' ' ' VAL . . . 62.6 49.31 3.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.503 ' N ' ' O ' ' B' ' 61' ' ' ALA . 96.9 m -145.08 129.77 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . 0.49 HG21 HG13 ' B' ' 126' ' ' VAL . 54.4 t -106.83 105.21 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.408 ' CG2' HG23 ' B' ' 76' ' ' VAL . 87.6 m -116.92 132.29 56.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' B' ' 113' ' ' PHE . 89.3 t -100.95 101.17 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.404 HG21 ' O ' ' B' ' 73' ' ' GLU . 16.8 mt -94.42 156.0 3.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.646 ' HA ' HD11 ' B' ' 77' ' ' LEU . 0.4 OUTLIER -66.96 118.49 10.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' B' ' 69' ' ' SER . 1.1 tt0 -38.72 -47.79 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -62.09 -89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -71.71 125.12 26.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.404 ' O ' HG21 ' B' ' 68' ' ' ILE . 0.8 OUTLIER -81.8 -7.44 59.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -110.17 29.3 7.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -129.57 80.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.508 ' O ' HD23 ' B' ' 77' ' ' LEU . 9.3 p -57.52 153.57 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.646 HD11 ' HA ' ' B' ' 69' ' ' SER . 19.5 mt -125.14 -53.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.92 136.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -118.14 93.95 4.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.705 ' SG ' HD12 ' B' ' 85' ' ' LEU . 12.2 t -96.79 92.57 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.424 ' C ' ' N ' ' B' ' 83' ' ' ARG . 9.8 mmt85 -71.52 116.14 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.917 HG11 ' HB1' ' B' ' 63' ' ' ALA . 0.4 OUTLIER -47.15 -24.72 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ARG . . . . . 0.424 ' N ' ' C ' ' B' ' 81' ' ' ARG . 15.4 mmt180 -72.71 -43.02 63.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 12.7 m-85 -80.44 -33.79 36.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' LEU . . . . . 0.705 HD12 ' SG ' ' B' ' 80' ' ' CYS . 0.4 OUTLIER -40.94 153.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . 0.558 ' HB3' ' CE2' ' A' ' 24' ' ' TYR . 96.8 p -126.98 -59.02 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.595 ' CD1' ' O ' ' A' ' 19' ' ' TYR . 31.0 t80 -131.43 161.71 31.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' MET . . . . . 0.768 ' HE1' HG12 ' B' ' 126' ' ' VAL . 0.0 OUTLIER -169.64 137.91 1.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLY . . . . . . . . . . . . . . . -174.62 -150.31 7.67 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.544 HG23 ' N ' ' B' ' 91' ' ' GLY . 0.8 OUTLIER -132.64 167.59 26.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . 0.544 ' N ' HG23 ' B' ' 90' ' ' VAL . . . -94.55 -105.01 1.9 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.472 1.107 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 mmpt? -98.17 -40.69 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.72 144.09 27.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.514 HG23 ' CB ' ' B' ' 118' ' ' ASN . 2.2 m -78.84 -24.37 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' B' ' 115' ' ' CYS . 1.4 m80 -62.98 -14.9 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.625 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 113' ' ' PHE . 70.9 p -99.46 152.7 19.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.678 ' CD2' ' CG1' ' B' ' 122' ' ' VAL . 31.6 t80 -156.5 113.51 3.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.724 ' HB2' HG22 ' B' ' 112' ' ' VAL . . . -116.69 164.92 13.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' PHE . . . . . 0.591 ' CE1' ' SG ' ' B' ' 80' ' ' CYS . 6.5 p90 -157.43 143.57 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 6.4 mt -94.65 126.76 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 27.8 ptm -121.92 142.43 50.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -94.18 114.65 26.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 9.5 p -83.26 -41.93 17.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.58 -98.47 0.13 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' B' ' 106' ' ' GLN . 2.2 t-20 -64.5 178.07 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.625 ' O ' ' CZ ' ' B' ' 108' ' ' PHE . 39.9 mt-30 -37.44 -48.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.473 ' C ' ' O ' ' B' ' 106' ' ' GLN . 3.4 mpt_? -33.43 134.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' PHE . . . . . 0.625 ' CZ ' ' O ' ' B' ' 106' ' ' GLN . 24.1 m-85 -129.08 155.73 44.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -124.82 137.92 54.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' B' ' 98' ' ' ALA . 42.9 t -113.91 125.0 53.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 108.309 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' HIS . . . . . 0.578 ' HB2' ' CZ ' ' B' ' 99' ' ' PHE . 96.0 m-70 -113.4 111.28 21.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.724 HG22 ' HB2' ' B' ' 98' ' ' ALA . 28.0 t -91.16 162.47 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' PHE . . . . . 0.598 ' CD1' ' C ' ' B' ' 112' ' ' VAL . 41.7 m-85 -152.66 166.65 31.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' TRP . . . . . . . . . . . . . 25.6 t-105 -125.2 94.9 4.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . 0.616 ' SG ' HG21 ' B' ' 122' ' ' VAL . 12.8 m -89.06 162.29 16.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' B' ' 117' ' ' PRO . 2.5 mt-10 -139.57 134.08 16.09 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' B' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -57.03 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.997 -0.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ASN . . . . . 0.514 ' CB ' HG23 ' B' ' 94' ' ' VAL . 36.1 p30 -104.86 178.03 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.477 ' C ' HD21 ' A' ' 11' ' ' LEU . . . -103.69 40.54 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . 0.647 ' HB1' ' CD ' ' A' ' 7' ' ' GLU . . . -77.04 -48.49 17.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -69.96 -46.97 64.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' VAL . . . . . 0.841 ' O ' HG23 ' B' ' 126' ' ' VAL . 2.1 t -56.18 -69.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.569 ' N ' HG12 ' B' ' 122' ' ' VAL . 34.9 p -49.13 -35.35 16.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' B' ' 120' ' ' ALA . 21.9 tt0 -66.02 -57.63 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' B' ' 18' ' ' PHE . . . -51.83 -22.56 3.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 122' ' ' VAL . 5.7 t -93.77 -28.1 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' GLN . . . . . 0.41 ' HA ' ' HE3' ' B' ' 88' ' ' MET . 11.8 tt0 -72.91 -35.62 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.78 -21.73 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.67 -46.4 38.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' CYS . . . . . 0.563 ' HA ' HG22 ' B' ' 82' ' ' VAL . 11.3 m -47.99 -48.84 32.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.311 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.92 -55.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.08 168.03 21.75 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 161.02 39.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' SER . . . . . . . . . . . . . 71.4 p -126.42 147.86 49.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' SER . . . . . . . . . . . . . 11.4 m -131.59 155.92 46.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.967 . . . . . . . . 0 0 . 1 stop_ save_